For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R,3R)-3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propiononitrile
SpectraBase Compound ID tXCK2j30JP
InChI InChI=1S/C16H21NOS/c1-13(12-17)15(18)16(10-6-3-7-11-16)19-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-11H2,1H3/t13-,15-/m1/s1
InChIKey GSDHPDJCROHCGT-UKRRQHHQSA-N
Mol Weight 275.41 g/mol
Molecular Formula C16H21NOS
Exact Mass 275.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IfHRjFx3FlR
Name (2R,3R)-3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propiononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NOS
InChI InChI=1S/C16H21NOS/c1-13(12-17)15(18)16(10-6-3-7-11-16)19-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-11H2,1H3/t13-,15-/m1/s1
InChIKey GSDHPDJCROHCGT-UKRRQHHQSA-N
Molecular Weight 275.410 g/mol
SMILES O[C@@](C1(Sc2ccccc2)CCCCC1)([C@@](C#N)(C)[H])[H]
SPLASH splash10-03di-0910000000-eba6f6bbeae5ba2cb2b6
Source of Spectrum KC-1993-1645-13
Synonyms (2R,3R)-3-hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclohexyl]propanenitrile anti-(2RS,3RS)-3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]popiononitrile
Wiley ID 778353