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1-Cyano-3-methyl-1-thiomethyl-3-cyclohexene

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-Cyano-3-methyl-1-thiomethyl-3-cyclohexene
SpectraBase Compound ID JIwJ9VHjttQ
InChI InChI=1S/C9H13NS/c1-8-4-3-5-9(6-8,7-10)11-2/h4H,3,5-6H2,1-2H3
InChIKey JCTNABDYXKCMTO-UHFFFAOYSA-N
Mol Weight 167.27 g/mol
Molecular Formula C9H13NS
Exact Mass 167.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zDK16F3tPG
Name 3-Methyl-1-(methylthio)-1-cyclohex-3-enecarbonitrile
Alternate Name(s) 3-Methyl-1-(methylthio)cyclohex-3-ene-1-carbonitrile 3-Methyl-1-methylsulfanyl-cyclohex-3-ene-1-carbonitrile
CAS Registry Number 82297-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NS
InChI InChI=1S/C9H13NS/c1-8-4-3-5-9(6-8,7-10)11-2/h4H,3,5-6H2,1-2H3
InChIKey JCTNABDYXKCMTO-UHFFFAOYSA-N
Molecular Weight 167.270 g/mol
SMILES C(#N)C1(CC(C)=CCC1)SC
SPLASH splash10-014i-2900000000-dc6a2d17a81240780678
Source of Spectrum F-42-3880-10
Wiley ID 1163681