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syn-(2RS,3RS)-3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propanamide
SpectraBase Compound ID La74kvjbjrK
InChI InChI=1S/C16H23NO2S/c1-12(15(17)19)14(18)16(10-6-3-7-11-16)20-13-8-4-2-5-9-13/h2,4-5,8-9,12,14,18H,3,6-7,10-11H2,1H3,(H2,17,19)/t12-,14-/m0/s1
InChIKey JTQCGXJZHXYHOV-JSGCOSHPSA-N
Mol Weight 293.42 g/mol
Molecular Formula C16H23NO2S
Exact Mass 293.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18VXZKl0ljc
Name syn-(2RS,3RS)-3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propanamide
Alternate Name(s) 3-Hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclohexyl]propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO2S
InChI InChI=1S/C16H23NO2S/c1-12(15(17)19)14(18)16(10-6-3-7-11-16)20-13-8-4-2-5-9-13/h2,4-5,8-9,12,14,18H,3,6-7,10-11H2,1H3,(H2,17,19)/t12-,14-/m0/s1
InChIKey JTQCGXJZHXYHOV-JSGCOSHPSA-N
Molecular Weight 293.425 g/mol
SMILES O[C@@]([C@@](C(=O)N)(C)[H])(C1(Sc2ccccc2)CCCCC1)[H]
SPLASH splash10-001i-9400000000-c42bdfcf8d30ba916958
Source of Spectrum KC-1993-1644-8
Wiley ID 778360