| Carbene saturated | carbene saturated | C11H20N2 | C 1s | vz-0cckk.os | LU+99 |
| Carbene saturated | carbene saturated | C11H20N2 | N 1s | vz-0nnkk.os | LU+99 |
| Carbene saturated #2 | carbene saturated | C11H24N2 | C 1s | vw-0cckk.os | LU+99 |
| Carbene saturated #2 | carbene saturated | C11H24N2 | N 1s | vw-0nnkk.os | LU+99 |
| Carbene saturated H2(methyl) | carbene saturated h2(methyl | C5H12N2 | N 1s | vm-0nnkk.os | LU+99 |
| Carbene Unsaturated | carbene unsaturated | C11H20N2 | C 1s | vy-0cckk.os | LU+99 |
| Carbene Unsaturated | carbene unsaturated | C11H20N2 | N 1s | vy-0nnkk.os | LU+99 |
| Carbon | carbon | C | C 1s | aaa-cckk.os | SF |
| Carbon dioxide | carbon dioxide | CO2 | C 1s | cd-0cckk.os | MC&87 |
| Carbon dioxide | carbon dioxide | CO2 | O 1s | cd-0ookk.os | MC&87 |
| Carbondisulphide | carbondisulphide | CS2 | C 1s | cs-0cckk.os | MH&89 |
| Carbondisulphide | carbondisulphide | CS2 | S 2p | cs-0ssl3.os | MH&89 |
| Carbonmonoxide | carbonmonoxide | CO | C 1s | co-0cckk.os | HB80a |
| Carbonmonoxide | carbonmonoxide | CO | O 1s | co-0ookk.os | HB80a |
| Carbonyl Fluoride | carbonyl fluoride | CF2O | C 1s | cf-0cckk.os | RI&88 |
| Carbonyl Fluoride | carbonyl fluoride | CF2O | F 1s | cf-0ffkk.os | RI&88 |
| Carbonyl Fluoride | carbonyl fluoride | CF2O | O 1s | cf-0ookk.os | RI&88 |
| Carbonyl sulfide | carbonyl sulfide | COS | C 1s | so-0cckk.os | MH&89 |
| Carbonyl sulfide | carbonyl sulfide | COS | O 1s | so-0ookk.os | MH&89 |
| Carbonyl sulfide | carbonyl sulfide | COS | S 2p | so-0ssl3.os | MH&89 |
| m-carborane | carborane | B10C2H12 | B 1s | bc-0bbkk.os | HR+96 |
| m-carborane | carborane | B10C2H12 | C 1s | bc-0cckk.os | HR+96 |
| Chlorine | chlorine | Cl | Cl 2p | aaa-clll.os | SF |
| Chloro-FRED | chloro-fred | C10ClCo3O9 | C 1s | gf-0cckk.os | HM&93 |
| Chloro-FRED | chloro-fred | C10ClCo3O9 | Cl 2p | gf-0cll3.os | HM&93 |
| Chloro-FRED | chloro-fred | C10ClCo3O9 | Co 2p | gf-0col3.os | HM&93 |
| Chloro-FRED | chloro-fred | C10ClCo3O9 | O 1s | gf-0ookk.os | HM&93 |
| Chromocene | chromocene | C10CrH10 | C 1s | cx-0cckk.os | HWR89 |
| cis-1,2-difluoroethene | cis-1,2-difluoroethene | C2F2H2 | C 1s | ci-0cckk.os | MC&87 |
| cis-1,2-difluoroethene | cis-1,2-difluoroethene | C2F2H2 | F 1s | ci-0ffkk.os | MC&87 |
| cis-tetramethylcyclobutene | cis-tetramethylcyclobutene | C8H14 | C 1s | yc-0cckk.os | EL+98 |
| Cobalt | cobalt | Co | Co 2p | aaa-coll.os | SF |
| Cobaltacene | cobaltacene | C10CoH10 | C 1s | cy-0cckk.os | HN&86 |
| Cobaltacene | cobaltacene | C10CoH10 | Co 2p | cy-0col3.os | HN&86 |
| Cyclobutane | cyclobutane | C4H8 | C 1s | cb-0cckk.os | HN&86 |
| 1,3-cyclohexadiene | cyclohexadiene | C6H8 | C 1s | hc-0cckk.os | H91 |
| 1,4-cyclohexadiene | cyclohexadiene | C6H8 | C 1s | hd-0cckk.os | H91 |
| cyclohexadiene-iron-tricarbonyl | cyclohexadiene-iron-tricarbonyl | C9FeH8O3 | C 1s | fj-0cckk.os | WRH92 |
| cyclohexadiene-iron-tricarbonyl | cyclohexadiene-iron-tricarbonyl | C9FeH8O3 | Fe 2p | fj-0fel3.os | WRH92 |
| cyclohexadiene-iron-tricarbonyl | cyclohexadiene-iron-tricarbonyl | C9FeH8O3 | O 1s | fj-0ookk.os | WRH92 |
| Cyclohexane | cyclohexane | C6H10 | C 1s | hg-0cckk.os | HN&86 |
| 1,4 cyclohexanedione | cyclohexanedione | C6H8O2 | C 1s | kc-0cckk.os | FH94 |
| 1,4 cyclohexanedione | cyclohexanedione | C6H8O2 | O 1s | kc-0ookk.os | FH94 |
| 1,3-cyclohexanedione | cyclohexanedione | C6H8O2 | C 1s | kb-0cckk.os | FH94 |
| 1,3-cyclohexanedione | cyclohexanedione | C6H8O2 | O 1s | kb-0ookk.os | FH94 |
| 1,2 cyclohexanedione | cyclohexanedione | C6H8O2 | C 1s | ka-0cckk.os | FH94 |
| 1,2 cyclohexanedione | cyclohexanedione | C6H8O2 | O 1s | ka-0ookk.os | FH94 |
| cyclohexanone | cyclohexanone | C6H10O | C 1s | kd-0cckk.os | FH94 |
| cyclohexanone | cyclohexanone | C6H10O | O 1s | kd-0ookk.os | FH94 |
| 2-cyclohexen-1-one | cyclohexen-1-one | C6H80 | C1s | kf-0cckk.os | LUH99 |
| 2-cyclohexen-1-one | cyclohexen-1-one | C6H80 | O1s | kf-0ookk.os | LUH99 |
| Cyclohexene | cyclohexene | C6H8 | C 1s | ch-0cckk.os | HR89,H91 |
| Cyclooctatetraene | cyclooctatetraene | C8H8 | C 1s | oc-0cckk.os | HN&86 |
| cyclooctatetraene-iron-tricarbonyl | cyclooctatetraene-iron-tricarbonyl | C11FeH8O3 | O 1s | fq-0ookk.os | WRH92 |
| Cyclooctatetraeneiron tricarbonyl | cyclooctatetraeneiron tricarbonyl | C11FeH8O3 | C 1s | fq-0cckk.os | RI&88 |
| Cyclooctatetraeneiron tricarbonyl | cyclooctatetraeneiron tricarbonyl | C11FeH8O3 | Fe 2p | fq-0llkk.os | WRH92 |
| Cyclopentadiene (cp) | cyclopentadiene (cp | C5H6 | C 1s | pd-0cckk.os | RWH91 |
| Cyclopentadiene vanadium tetracarbonyl | cyclopentadiene vanadium tetracarbonyl | C9H5O4V | C 1s | gt-0cckk.os | WHR92 |
| Cyclopentadiene vanadium tetracarbonyl | cyclopentadiene vanadium tetracarbonyl | C9H5O4V | O 1s | gt-0ookk.os | WHR92 |
| Cyclopentadiene vanadium tetracarbonyl | cyclopentadiene vanadium tetracarbonyl | C9H5O4V | V 2p | gt-0vvll.os |
| Cyclopentadienylcobalt dicarbonyl | cyclopentadienylcobalt dicarbonyl | C7CoH5O2 | C 1s | cm-0cckk.os | RWH91 |
| Cyclopentadienylcobalt dicarbonyl | cyclopentadienylcobalt dicarbonyl | C7CoH5O2 | Co 2p | cm-0col3.os | RWH91 |
| Cyclopentadienylcobalt dicarbonyl | cyclopentadienylcobalt dicarbonyl | C7CoH5O2 | O 1s | cm-0ookk.os | RWH91 |
| Cyclopentadienyltitanium trichloride | cyclopentadienyltitanium trichloride | C5Cl3H5Ti | C 1s | td-0cckk.os | WH93 |
| Cyclopentadienyltitanium trichloride | cyclopentadienyltitanium trichloride | C5Cl3H5Ti | Cl 2p | td-0cll3.os | WH93 |
| Cyclopentadienyltitanium trichloride | cyclopentadienyltitanium trichloride | C5Cl3H5Ti | Ti 2p | td-0til3.os | WH93 |
| Cyclopentane | cyclopentane | C5H10 | C 1s | pu-0cckk.os | HN&86 |
| Cyclopentene | cyclopentene | C5H8 | C 1s | pv-0cckk.os | HN&86 |
| Cyclopentyl-rhenium-carbonyl-nitrogen | cyclopentyl-rhenium-carbonyl-nitrogen | C12H15N2O2Re | C 1s | rn-0cckk.os | HS92 |
| Cyclopentyl-rhenium-carbonyl-nitrogen | cyclopentyl-rhenium-carbonyl-nitrogen | C12H15N2O2Re | N 1s | rn-0nnkk.os | HS92 |
| Cyclopentyl-rhenium-carbonyl-nitrogen | cyclopentyl-rhenium-carbonyl-nitrogen | C12H15N2O2Re | O 1s | rn-0ookk.os | HS92 |
| Cyclopropane | cyclopropane | C3H6 | C 1s | cp-0cckk.os | HN&86 |
| cysteine | cysteine | C3H7NO2S | C 1s | ld-0cckk.os | JS&08 |
| DABCO: 1,4diazabicyclo[2,2,2]octane | dabco: 1,4diazabicyclo[2,2,2]octane | C6H12N2 | C 1s | va-0cckk.os | RUH95 |
| DABCO: 1,4diazabicyclo[2,2,2]octane | dabco: 1,4diazabicyclo[2,2,2]octane | C6H12N2 | N 1s | va-0nnkk.os | RUH95 |
| Decaborane | decaborane | B10H14 | B 1s | bj-0bbkk.os | HW&93 |
| 3-decyl-thiophene | decyl-thiophene | C14H25S | C 1s | sd-0cckk.os | HT&90 |
| Decylalcohol | decylalcohol | C10H22O | C 1s | da-0cckk.os | HI88a |
| Di-t-butylphosphorus chloride | di-t-butylphosphorus chloride | ClC8H18P | C 1s | pb-0cckk.os | HH+98 |
| Di-t-butylphosphorus chloride | di-t-butylphosphorus chloride | ClC8H18P | Cl 2p | pb-0xxmm.os | HH+98 |
| Di-t-butylphosphorus chloride | di-t-butylphosphorus chloride | ClC8H18P | P 2p | pb-0ppmm.os | HH+98 |
| Diacetimide | diacetimide | C4H7N02 | C1s | kn-0cckk.os | LCH03 |
| Diacetimide | diacetimide | C4H7N02 | N1s | kn-0nnkk.os | LCH03 |
| Diacetimide | diacetimide | C4H7N02 | O1s | kn-0ookk.os | LCH03 |
| Diazadiene | diazadiene | C10H20N2 | C 1s | dn-0cckk.os | LU+99 |
| Diazadiene | diazadiene | C10H20N2 | N 1s | dn-0nnkk.os | LU+99 |
| 1,2-dichloroethane | dichloroethane | C2Cl2H4 | C 1s | ce-0cckk.os | H92a |
| 1,2-dichloroethane | dichloroethane | C2Cl2H4 | Cl 2p | ce-0cll3.os | H92a |
| Dicobaltoctacarbonyl | dicobaltoctacarbonyl | C8Co2O8 | C 1s | cc-0cckk.os | RWH91 |
| Dicobaltoctacarbonyl | dicobaltoctacarbonyl | C8Co2O8 | Co 2p | cc-0col3.os | RWH91 |
| Dicobaltoctacarbonyl | dicobaltoctacarbonyl | C8Co2O8 | O 1s | cc-0ookk.os | RWH91 |
| Dicyanoimidazole | dicyanoimidazole | C5H2N4 | C 1s | di-0cckk.os | AHG93 |
| Dicyanoimidazole | dicyanoimidazole | C5H2N4 | N 1s | di-0nnkk.os | AHG93 |
| Diethylcarborane | diethylcarborane | B4C6H14 | B 1s | bh-0bbkk.os | HW&93 |
| Diethylcarborane | diethylcarborane | B4C6H14 | C 1s | bh-0cckk.os | HW&93 |
| Diethylether | diethylether | C4H10O | C 1s | de-0cckk.os | UH&95b |
| Diethylether | diethylether | C4H10O | O 1s | de-0ookk.os | UH&95b |
| Difluorobenzene | difluorobenzene | C6F2H4 | C 1s | df-0cckk.os | HF&87 |
| Difluorobenzene | difluorobenzene | C6F2H4 | F 1s | df-0ffkk.os | HF&87 |
| 1,1 Difluoroethane | difluoroethane | C2F2H4 | C 1s | ck-0cckk.os | H19 |
| 1,1 Difluoroethane | difluoroethane | C2F2H4 | F 1s | ck-0ffkk.os | H19 |
| 1,1 Difluoroethene | difluoroethene | C2F2H2 | C 1s | ff-0cckk.os | RI&88 |
| 1,1 Difluoroethene | difluoroethene | C2F2H2 | F 1s | ff-0ffkk.os | RI&88 |
| Dihydropyran | dihydropyran | C5H8O | C 1s | dp-0cckk.os | NIH86 |
| Dihydropyran | dihydropyran | C5H8O | O 1s | dp-0ookk.os | NIH86 |
| dimethyl carbonate | dimethyl carbonate | C3H6O3 | C 1s | gm-0cckk.os | HW&91 |
| dimethyl carbonate | dimethyl carbonate | C3H6O3 | O 1s | gm-0ookk.os | HW&91 |
| Dimethyl cyclobutene | dimethyl cyclobutene | C6H10 | C 1s | ya-0cckk.os | EL+98 |
| dimethyl isophthalate | dimethyl isophthalate | C10H10O4 | C 1s | un-0cckk.os | UH+97a |
| dimethyl isophthalate | dimethyl isophthalate | C10H10O4 | O 1s | un-0ookk.os | UH+97a |
| Dimethyl Malonate | dimethyl malonate | C5H8O4 | C1s | kq-0cckk.os | LCH03 |
| Dimethyl Malonate | dimethyl malonate | C5H8O4 | O1s | kq-0ookk.os | LCH03 |
| dimethyl phthalate | dimethyl phthalate | C10H10O4 | C 1s | um-0cckk.os | UH+97a |
| dimethyl phthalate | dimethyl phthalate | C10H10O4 | O 1s | um-0ookk.os | UH+97a |
| Dimethyl Pyrocarbonate | dimethyl pyrocarbonate | C4H6O5 | O1s | kl-0ookk.os | LCH03 |
| dimethyl pyrocarbonate | dimethyl pyrocarbonate | C4H6O5 | C 1s | kl-0cckk.os | LCH03 |
| dimethyl sulfoxide (DMSO) | dimethyl sulfoxide (dmso | C2H6OS | C 1s | ds-0cckk.os | H15 |
| dimethyl sulfoxide (DMSO) | dimethyl sulfoxide (dmso | C2H6OS | C 1s | ds-0ookk.os | H15 |
| dimethyl sulfoxide (DMSO) | dimethyl sulfoxide (dmso | C2H6OS | C 1s | ds-0ssl1.os | H15 |
| dimethyl sulfoxide (DMSO) | dimethyl sulfoxide (dmso | C2H6OS | C 1s | ds-0ssl3.os | H15 |
| dimethyl sulfoxide (DMSO) | dimethyl sulfoxide (dmso | C2H6OS | all | ds-0aakk.os | H15 |
| Dimethyl-terephthalate | dimethyl-terephthalate | C10H10O4 | C 1s | dt-0cckk.os | UH&95b |
| Dimethyl-terephthalate | dimethyl-terephthalate | C10H10O4 | O 1s | dt-0ookk.os | UH&95b |
| dimethylamino trimethylsilane | dimethylamino trimethylsilane | C5H15NSi | C 1s | ug-0cckk.os | UH94b |
| dimethylamino trimethylsilane | dimethylamino trimethylsilane | C5H15NSi | N 1s | ug-0nnkk.os | UH94b |
| dimethylamino trimethylsilane | dimethylamino trimethylsilane | C5H15NSi | Si 2p | ug-0sill.os | UH94b |
| 2,2Dimethylpropane | dimethylpropane | C5H12 | C 1s | dm-0cckk.os | HI87 |
| dimethyltetrafluorobenzeocyclobutane | dimethyltetrafluorobenzeocyclobutane | C10F4H8 | C 1s | ve-0cckk.os | UH96 |
| diphenyl carbonate | diphenyl carbonate | C13H10O3 | C 1s | gp-0cckk.os | HW&91 |
| Diphenyl-phosphaborane | diphenyl-phosphaborane | B5C12H18P | B 1s | bm-0bbkk.os | HLD91 |
| Diphenyl-phosphaborane | diphenyl-phosphaborane | B5C12H18P | C 1s | bm-0cckk.os | HLD91 |
| diphenylmethane | diphenylmethane | C13H12 | C 1s | ih-0cckk.os | UH&95b |