Species not suitable for MSE-SRK
Primary species that exist in the MSE databanks (MSEPUB and UREA, version 9.6.1) but are not intended to be used in MSE-SRK
| OLI tag name | IUPAC name | OLI tag name | IUPAC name | OLI tag name | IUPAC name | OLI tag name | IUPAC name |
|---|---|---|---|---|---|---|---|
| ACENITRILE | Acetonitrile | C6H9N11 | N2-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine | GLUCOSE | D-Glucose | PROPYLAMN | Propylamine |
| ACETONE | Acetone | C7H15SH | 1-Heptanethiol | GLYCOLACID | Glycolic acid | PRPLNCARB | Propylene carbonate |
| ACETYLENE | Acetylene | C8H18S2 | 5,6-Dithiadecane | H8SUCROSE | Sucrose | PRPLNGLY12 | 1,2-Propanediol |
| ACRYL2 | Acrylic acid dimer | CAPROLACTAM | 6-Caprolactam | HACRYLATE | Acrylic acid | PYRAZOLE | 1H-Pyrazole |
| ACRYLONTRL | 2-Propenenitrile | CARBNTET | Carbon tetrachloride | HDROXAMN | Hydroxylamine | PYRIMIDINE | Pyrimidine |
| B2CEE | 3,3'-Oxybispropanenitrile | CCROTONTRL | (Z)-2-Butenenitrile | HNCO | Isocyanic acid | S1 | Sulfur1 |
| B3BPROPNAT | n-Butyl 3-butoxypropanoate | CHEXNNOXIM | Cyclohexanone oxime | HNCO3 | 1,3,5-Triazinane-2,4,6-trione | S2 | Sulfur2 |
| BIURET | Biuret | CHLOROFM | Chloroform | HPNOICACID | Heptanoic acid | S3 | Sulfur3 |
| BMIMBF4 | 1-Butyl-3-methylimidazolium tetrafluoroborate | CHXANOL | Cyclohexanol | HPROPANATE | Propionic Acid | S4 | Sulfur4 |
| BMIMCF3SO3 | 1-Butyl-3-methylimidazolium trifluoromethanesulfonate | CLFL2ME | Chlorodifluoromethane | IPRPYLAM | Isopropylamine | S5 | Sulfur5 |
| BMIMNCF3S2 | 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide | CYANOPYRID3 | 3-Pyridinecarbonitrile | ISOSORB | 1,4:3,6-dianhydro-D-sorbitol | S6 | Sulfur6 |
| BMIMPF6 | 1-Butyl-3-methylimidazolium hexafluorophosphate | CYCLHEXAMN | Cyclohexanamine | ISPROPANOL | 2-Propanol | S7 | Sulfur7 |
| BNZDIOL12 | 1,2-Benzenediol | DCLMETHN | Dichloromethane | LLEUCINE | L-Leucine | SCO2 | Sulfur1CO2 |
| BUTAC2 | butanoic acid, dimer | DEXH | N,N-Diethanolamine | M4PNTON2 | 4-Methyl-2-pentanone | SECBUTYAMN | 2-Butanamine |
| BUTACRYLAT | n-Butyl acrylate | DGXH | 2-Aminoethoxyethanol | MAA2 | 2-Methyl-2-propenoic acid dimer | SORBITAN | 1,4-anhydro-D-sorbitol |
| BUTLACETAT | 1-Butyl acetate | DIETHCARB | Diethyl carbonate | MDEXH | Diethanolmethylamine | SORBITOL | Sorbitol |
| BUTRALDEHY | n-Butanal | DIETHYLAMN | N,N-Diethylamine | MEACRYLACD | 2-Methyl-2-propenoic acid | SULFUREL | Sulfur |
| BUTYALCHOL | Butanol | DIMECARB | Dimethyl carbonate | MEAMINE | Methylamine | T2O | Tritium oxide |
| BUTYLAMINE | 1-Butanamine | DLEUCINE | D-Leucine | MEMERCAPTN | Methanethiol | TAME | 2-Methyl-2-methoxybutane |
| BUTYLFARMT | n-Butyl formate | DMEA | Dimethylamine | MEPYROLIDN | 1-Methyl-2-pyrrolidinone | TCROTONTRL | (E)-2-Butenenitrile |
| BUTYLMCPT | 1-Butanethiol | DMEDSFIDE | Dimethyl disulfide | MEXH | 2-Aminoethanol | TEXH | Triethanolamine |
| BUTYRICAC | n-Butanoic acid | DMEXH | 2-Dimethylaminoethanol | MOPA | 3-Methoxypropylamine | TIIVNBUT4 | Titanium tetra-n-butanolate |
| C10H22S2 | 6,7-Dithiadodecane | DMF | N,N-Dimethylformamide | MORPHLN26ME | 2,6-dimethylmorpholine | TRIBUTPHOS | Tri-n-butylphosphate |
| C12H26S2 | 7,8-Dithiatetradecane | DMIPA | Dimethylisopropanolamine | MORPHOLN | Morpholine | TRIEAMINE | Triethylamine |
| C14H30S2 | 8,9-Dithiahexadecane | EFORMAT | Ethyl formate | MPYRIDINE3 | 3-Methylpyridine | TRIMEAMINE | Trimethylamine |
| C3H4N4O2 | 6-Amino-2,4-Dihydroxy-1,3,5-Triazine | EMIMBF4 | 1-ethyl-3-methylimidazolium tetrafluoroborate | NEM | N-Ethylmorpholine | TRIOCTYLAM | trioctylamine |
| C3H5N5O | 4,6-Diamino-2-hydroxy-1,3,5-triazine | EMIMCF3SO3 | 1-ethyl-3-methylimidazolium trifluoromethanesulfonate | NH2CL | Chloramide | UREA | Urea |
| C3H6N6 | 1,3,5-Triazine-2,4,6-triamine | EMIMNCF3S2 | 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide | NH3 | Ammonia | ||
| C3H7SH | 1-Propanethiol | EMIMPF6 | 1-ethyl-3-methylimidazolium hexafluorophosphate | NHCL2 | Chlorimide | ||
| C4H10S2 | Diethyl disulfide | ENAMN2 | Ethylenediamine | NITBNZ | Nitrobenzene | ||
| C4H2O3 | Maleic anhydride | ETAMINE | Ethylamine | NMM | N-Methylmorpholine | ||
| C5H11SH | 1-Pentanethiol | ETHANOL | Ethanol | NNM2ACEAMD | N,N-Dimethylacetamide | ||
| C6H12O7 | D-Gluconic acid | ETHECARB | Ethylene carbonate | OXAZOLE | 1,3-Oxazole | ||
| C6H13SH | 1-Hexanethiol | ETMCAPTAN | Ethanethiol | OXIRANE | Epoxyethane | ||
| C6H14S2 | 4,5-Dithiaoctane | FORMALDHYD | Formaldehyde | PF5 | phosphorus pentafluoride | ||
| C6H15N3 | 1,3,5-trimethyl-1,3,5-triazinane | FORMAMIDE | Formamide | PROPAC2 | Propionic acid, dimer | ||
| C6H5OH | Phenol | FUMANITRILE | (E)-2-Butenedinitrile | PROPANOL1 | 1-Propanol |
