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2-(3-Methyl-1-phenylsulfanyl-but-2-enyl)cyclohexan-1-one
SpectraBase Compound ID 3tUvgbTbtNh
InChI InChI=1S/C17H22OS/c1-13(2)12-17(15-10-6-7-11-16(15)18)19-14-8-4-3-5-9-14/h3-5,8-9,12,15,17H,6-7,10-11H2,1-2H3
InChIKey BIWUAUQVMMNWDK-UHFFFAOYSA-N
Mol Weight 274.42 g/mol
Molecular Formula C17H22OS
Exact Mass 274.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Il5rpNkDP0
Name 2-(3-Methyl-1-phenylsulfanyl-but-2-enyl)cyclohexan-1-one
Alternate Name(s) 2-(3-Methyl-1-phenylsulfanyl-but-2-enyl)cyclohexanone 2-[3-methyl-1-(phenylthio)but-2-enyl]-1-cyclohexanone 2-(3-Methyl-1-phenylsulfanylbut-2-enyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS
InChI InChI=1S/C17H22OS/c1-13(2)12-17(15-10-6-7-11-16(15)18)19-14-8-4-3-5-9-14/h3-5,8-9,12,15,17H,6-7,10-11H2,1-2H3
InChIKey BIWUAUQVMMNWDK-UHFFFAOYSA-N
Molecular Weight 274.422 g/mol
SMILES C(C1C(=O)CCCC1)(C=C(C)C)Sc1ccccc1
SPLASH splash10-00ke-8900000000-43029a5255f1606c6e64
Source of Spectrum F-50-9392-19
Wiley ID 1278388