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3-Phenylthioacetylcyclohexanone

View entire compound with spectra: 1 MS (GC)

3-Phenylthioacetylcyclohexanone
SpectraBase Compound ID AKguVZmwCzd
InChI InChI=1S/C14H16O2S/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-3,7-8,11H,4-6,9-10H2
InChIKey JEZODSSODVUJHP-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ObUOXIpYYu
Name 3-Phenylthioacetylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-3,7-8,11H,4-6,9-10H2
InChIKey JEZODSSODVUJHP-UHFFFAOYSA-N
Molecular Weight 248.340 g/mol
SMILES C(C1CC(=O)CCC1)(CSc1ccccc1)=O
SPLASH splash10-00dj-2930000000-79e12d42d88a9bccfeaa
Source of Spectrum F-49-2020-2
Synonyms 3-[(Phenylsulfanyl)acetyl]cyclohexanone
Wiley ID 1251024