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3-(Phenylsulfanylmethyl)cyclohex-2-en-1-one

View entire compound with spectra: 1 MS (GC)

3-(Phenylsulfanylmethyl)cyclohex-2-en-1-one
SpectraBase Compound ID 1SWTILaqkdO
InChI InChI=1S/C13H14OS/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-3,7-9H,4-6,10H2
InChIKey FJCONTIWLOOFSE-UHFFFAOYSA-N
Mol Weight 218.31 g/mol
Molecular Formula C13H14OS
Exact Mass 218.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJitx0xWNM5
Name 3-(Phenylsulfanylmethyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14OS
InChI InChI=1S/C13H14OS/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-3,7-9H,4-6,10H2
InChIKey FJCONTIWLOOFSE-UHFFFAOYSA-N
Molecular Weight 218.314 g/mol
SMILES C1=C(CSc2ccccc2)CCCC1=O
SPLASH splash10-014r-7290000000-e679a8b346d8c89460fc
Source of Spectrum J-61-4639-6
Synonyms 3-[(phenylsulfanyl)methyl]-2-cyclohexen-1-one 3-[(phenylthio)methyl]-1-cyclohex-2-enone 3-[(phenylthio)methyl]cyclohex-2-en-1-one
Wiley ID 1217677