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2,4-Diacetyl-1-(phenylthio)cyclohexene
SpectraBase Compound ID 217jwbnetnd
InChI InChI=1S/C16H18O2S/c1-11(17)13-8-9-16(15(10-13)12(2)18)19-14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3
InChIKey OKVCGTOXZQPCEI-UHFFFAOYSA-N
Mol Weight 274.38 g/mol
Molecular Formula C16H18O2S
Exact Mass 274.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxrOoMOlq7y
Name 2,4-Diacetyl-1-(phenylthio)cyclohexene
CAS Registry Number 116503-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2S
InChI InChI=1S/C16H18O2S/c1-11(17)13-8-9-16(15(10-13)12(2)18)19-14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3
InChIKey OKVCGTOXZQPCEI-UHFFFAOYSA-N
Molecular Weight 274.378 g/mol
SMILES C1(=C(Sc2ccccc2)CCC(C1)C(=O)C)C(=O)C
SPLASH splash10-00di-0940000000-c88a6b8bc0539705c109
Source of Spectrum J-53-5308-12
Synonyms 1-[3-acetyl-4-(phenylsulfanyl)-3-cyclohexen-1-yl]ethanone
Wiley ID 1278177