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(E)-2-(1,3-Bis(phenylthio)allyl)cyclohexanone
SpectraBase Compound ID 8rqpJqlFO6m
InChI InChI=1S/C21H22OS2/c22-20-14-8-7-13-19(20)21(24-18-11-5-2-6-12-18)15-16-23-17-9-3-1-4-10-17/h1-6,9-12,15-16,19,21H,7-8,13-14H2/b16-15+
InChIKey NWPVWLBTYXOAIH-FOCLMDBBSA-N
Mol Weight 354.53 g/mol
Molecular Formula C21H22OS2
Exact Mass 354.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXgBlp3cEff
Name (E)-2-(1,3-Bis(phenylthio)allyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22OS2
InChI InChI=1S/C21H22OS2/c22-20-14-8-7-13-19(20)21(24-18-11-5-2-6-12-18)15-16-23-17-9-3-1-4-10-17/h1-6,9-12,15-16,19,21H,7-8,13-14H2/b16-15+
InChIKey NWPVWLBTYXOAIH-FOCLMDBBSA-N
Molecular Weight 354.526 g/mol
SMILES C(C1C(=O)CCCC1)(Sc1ccccc1)\C=C\Sc1ccccc1
SPLASH splash10-000j-0930000000-c8dd9a3a2495cb37bf8a
Source of Spectrum F-50-9375-19
Synonyms 2-[(2E)-1,3-bis(phenylsulfanyl)-2-propenyl]cyclohexanone
Wiley ID 1344667