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cis-[2-(phenylthio)cyclohexyl]acetonitrile
SpectraBase Compound ID 1zqQ3LS9dhL
InChI InChI=1S/C14H17NS/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13/h1-3,7-8,12,14H,4-6,9-10H2/t12-,14-/m0/s1
InChIKey YOFQKGQZRDODTR-JSGCOSHPSA-N
Mol Weight 231.36 g/mol
Molecular Formula C14H17NS
Exact Mass 231.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ceYibqAd3p
Name cis-[2-(phenylthio)cyclohexyl]acetonitrile
Alternate Name(s) [(1S,2S)-2-(phenylsulfanyl)cyclohexyl]acetonitrile
CAS Registry Number 99965-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NS
InChI InChI=1S/C14H17NS/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13/h1-3,7-8,12,14H,4-6,9-10H2/t12-,14-/m0/s1
InChIKey YOFQKGQZRDODTR-JSGCOSHPSA-N
Molecular Weight 231.357 g/mol
SMILES C(#N)C[C@]1([C@@](Sc2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-03di-3910000000-6643b0449894eafd3865
Source of Spectrum J-51-846-16
Wiley ID 1232965