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S-[3-(1-Hydroxy-1-phenylbenzyl)cyclohex-1-enyl) N-isopropylmonothiocarbamate
SpectraBase Compound ID nLwAPeXlzN
InChI InChI=1S/C23H27NO2S/c1-17(2)24-22(25)27-21-15-9-14-20(16-21)23(26,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16-17,20,26H,9,14-15H2,1-2H3,(H,24,25)
InChIKey WQBXNVYUDMWGGC-UHFFFAOYSA-N
Mol Weight 381.53 g/mol
Molecular Formula C23H27NO2S
Exact Mass 381.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NUlwzl9ja
Name S-[3-(1-Hydroxy-1-phenylbenzyl)cyclohex-1-enyl) N-isopropylmonothiocarbamate
Alternate Name(s) N-propan-2-ylcarbamothioic acid S-[[3-[hydroxy(diphenyl)methyl]-1-cyclohexenyl]] ester S-[3-[hydroxy(diphenyl)methyl]cyclohexen-1-yl] N-propan-2-ylcarbamothioate S-[3-[hydroxy(diphenyl)methyl]cyclohexen-1-yl] N-isopropylcarbamothioate S-[3-[oxidanyl(diphenyl)methyl]cyclohexen-1-yl] N-propan-2-ylcarbamothioate
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Formula C23H27NO2S
InChI InChI=1S/C23H27NO2S/c1-17(2)24-22(25)27-21-15-9-14-20(16-21)23(26,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16-17,20,26H,9,14-15H2,1-2H3,(H,24,25)
InChIKey WQBXNVYUDMWGGC-UHFFFAOYSA-N
Molecular Weight 381.534 g/mol
SMILES OC(C1C=C(SC(NC(C)C)=O)CCC1)(c1ccccc1)c1ccccc1
SPLASH splash10-053r-4900000000-905cdf44eeb1cc356f8d
Source of Spectrum U1-2002-2985-21
Wiley ID 1523013