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3-(Phenylsulfanyl)-2-cyclohexen-1-one
SpectraBase Compound ID Asb3gInzt1Y
InChI InChI=1S/C12H12OS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2
InChIKey FLVCHPNSGFNWRI-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C12H12OS
Exact Mass 204.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fwt5xiSrDqZ
Name 3-(Phenylsulfanyl)-2-cyclohexen-1-one
Alternate Name(s) 3-(Phenylthio)-1-cyclohex-2-enone 3-(Phenylthio)cyclohex-2-en-1-one 3-Phenylsulfanylcyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12OS
InChI InChI=1S/C12H12OS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2
InChIKey FLVCHPNSGFNWRI-UHFFFAOYSA-N
Molecular Weight 204.287 g/mol
SMILES C1(C=C(CCC1)Sc1ccccc1)=O
SPLASH splash10-0fvj-2940000000-489ffb82472205568838
Source of Spectrum F-62-1753-1
Wiley ID 1632383