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1-Cyano-4-methyl-1-thiomethyl-3-cyclohexene
SpectraBase Compound ID JSqYD8tktrh
InChI InChI=1S/C9H13NS/c1-8-3-5-9(7-10,11-2)6-4-8/h3H,4-6H2,1-2H3
InChIKey JNUGZZVDQPLNOJ-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 8QPX6epwImd
Name 4-Methyl-1-(methylthio)-1-cyclohex-3-enecarbonitrile
CAS Registry Number 82297-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NS
InChI InChI=1S/C9H13NS/c1-8-3-5-9(7-10,11-2)6-4-8/h3H,4-6H2,1-2H3
InChIKey JNUGZZVDQPLNOJ-UHFFFAOYSA-N
Molecular Weight 167.270 g/mol
SMILES C(#N)C1(CC=C(CC1)C)SC
SPLASH splash10-014i-9400000000-58cc0e77611412c6c254
Source of Spectrum F-42-3880-10
Synonyms 4-Methyl-1-(methylthio)cyclohex-3-ene-1-carbonitrile 4-Methyl-1-methylsulfanyl-cyclohex-3-ene-1-carbonitrile
Wiley ID 1163680