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2-Methyl-3-(phenylsulfanylmethyl)cyclohex-2-en-1-one
SpectraBase Compound ID KjSLpPyjGKq
InChI InChI=1S/C14H16OS/c1-11-12(6-5-9-14(11)15)10-16-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey GMKLUFIWSKFSKS-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C14H16OS
Exact Mass 232.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cU3vIU16qL
Name 2-Methyl-3-(phenylsulfanylmethyl)cyclohex-2-en-1-one
CAS Registry Number 85152-65-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16OS
InChI InChI=1S/C14H16OS/c1-11-12(6-5-9-14(11)15)10-16-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey GMKLUFIWSKFSKS-UHFFFAOYSA-N
Molecular Weight 232.341 g/mol
SMILES C1(=C(CSc2ccccc2)CCCC1=O)C
SPLASH splash10-0ul0-0950000000-f64e023ff2018da4c172
Source of Spectrum C-105-2813-0
Synonyms 2-Methyl-3-[(phenylsulfanyl)methyl]-2-cyclohexen-1-one 2-Methyl-3-[(phenylthio)methyl]-1-cyclohex-2-enone 2-Methyl-3-[(phenylthio)methyl]cyclohex-2-en-1-one
Wiley ID 1233905