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(E)-2-(3-Phenylthiopent-2-enyl)cyclohexanone
SpectraBase Compound ID BkQ948famsE
InChI InChI=1S/C17H22OS/c1-2-15(19-16-9-4-3-5-10-16)13-12-14-8-6-7-11-17(14)18/h3-5,9-10,13-14H,2,6-8,11-12H2,1H3/b15-13+
InChIKey QMYNMAYNDYZBGH-FYWRMAATSA-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 MMoBqcAqPf
Name (E)-2-(3-Phenylthiopent-2-enyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS
InChI InChI=1S/C17H22OS/c1-2-15(19-16-9-4-3-5-10-16)13-12-14-8-6-7-11-17(14)18/h3-5,9-10,13-14H,2,6-8,11-12H2,1H3/b15-13+
InChIKey QMYNMAYNDYZBGH-FYWRMAATSA-N
Molecular Weight 274.422 g/mol
SMILES c1(S\C(=C\CC2C(=O)CCCC2)CC)ccccc1
SPLASH splash10-0670-9600000000-38d06754cd6a1c57a583
Source of Spectrum F-50-9392-17
Synonyms 2-[(2E)-3-(phenylsulfanyl)-2-pentenyl]cyclohexanone
Wiley ID 1278389