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4-Acetyl-4-[1-(phenylthio)ethenyl]cyclohexanone
SpectraBase Compound ID 1uMvvZTXEC8
InChI InChI=1S/C16H18O2S/c1-12(17)16(10-8-14(18)9-11-16)13(2)19-15-6-4-3-5-7-15/h3-7H,2,8-11H2,1H3
InChIKey JXXWIEIWAMZFFF-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 kdmsQtvHbG
Name 4-Acetyl-4-[1-(phenylthio)ethenyl]cyclohexanone
Alternate Name(s) 4-Acetyl-4-[1-(phenylsulfanyl)vinyl]cyclohexanone
CAS Registry Number 116503-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2S
InChI InChI=1S/C16H18O2S/c1-12(17)16(10-8-14(18)9-11-16)13(2)19-15-6-4-3-5-7-15/h3-7H,2,8-11H2,1H3
InChIKey JXXWIEIWAMZFFF-UHFFFAOYSA-N
Molecular Weight 274.378 g/mol
SMILES C1(C(Sc2ccccc2)=C)(CCC(CC1)=O)C(=O)C
SPLASH splash10-01b9-0940000000-6cbc52d2c24881bb966a
Source of Spectrum J-53-5308-17
Wiley ID 1278178