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2-(1-Phenylthiobut-2-enyl)cyclohexanone
SpectraBase Compound ID 5oGMyqAL91v
InChI InChI=1S/C16H20OS/c1-2-8-16(14-11-6-7-12-15(14)17)18-13-9-4-3-5-10-13/h2-5,8-10,14,16H,6-7,11-12H2,1H3/b8-2-
InChIKey OGOSXLAHKKSEPY-WAPJZHGLSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8l6NxM6zYIK
Name 2-(1-Phenylthiobut-2-enyl)cyclohexanone
Alternate Name(s) 2-[(2Z)-1-(phenylsulfanyl)-2-butenyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-2-8-16(14-11-6-7-12-15(14)17)18-13-9-4-3-5-10-13/h2-5,8-10,14,16H,6-7,11-12H2,1H3/b8-2-
InChIKey OGOSXLAHKKSEPY-WAPJZHGLSA-N
Molecular Weight 260.395 g/mol
SMILES C1(C(Sc2ccccc2)\C=C/C)C(=O)CCCC1
SPLASH splash10-0pel-7900000000-ee3924d5ef1971a77102
Source of Spectrum F-50-9392-20
Wiley ID 1263975