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2-[(2E)-2-methyl-3-(phenylsulfanyl)-2-propenyl]cyclohexanone
SpectraBase Compound ID 3ym7U9Rs28z
InChI InChI=1S/C16H20OS/c1-13(11-14-7-5-6-10-16(14)17)12-18-15-8-3-2-4-9-15/h2-4,8-9,12,14H,5-7,10-11H2,1H3/b13-12+
InChIKey ZRIKHMUXZLOLKF-OUKQBFOZSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8HFCw5OloW
Name 2-[(2E)-2-methyl-3-(phenylsulfanyl)-2-propenyl]cyclohexanone
CAS Registry Number 125417-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-13(11-14-7-5-6-10-16(14)17)12-18-15-8-3-2-4-9-15/h2-4,8-9,12,14H,5-7,10-11H2,1H3/b13-12+
InChIKey ZRIKHMUXZLOLKF-OUKQBFOZSA-N
Molecular Weight 260.395 g/mol
SMILES C1(C(C\C(=C\Sc2ccccc2)C)CCCC1)=O
SPLASH splash10-0w29-1920000000-96066f8857c96b58dbbb
Source of Spectrum KC-1989-1634-8
Synonyms 2-[(E)-2-methyl-3-(phenylthio)allyl]cyclohexanone 2-[(E)-2-methyl-3-(phenylthio)prop-2-enyl]-1-cyclohexanone 2-[(E)-2-methyl-3-phenylsulfanyl-allyl]cyclohexanone 2-[(E)-2-methyl-3-phenylsulfanyl-prop-2-enyl]cyclohexan-1-one
Wiley ID 1263966