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1-Mercapto-2,3,6-triphenylhexa-1,3-dien-5-one
SpectraBase Compound ID 8m38DHSK7tH
InChI InChI=1S/C24H20OS/c25-22(16-19-10-4-1-5-11-19)17-23(20-12-6-2-7-13-20)24(18-26)21-14-8-3-9-15-21/h1-15,17-18,26H,16H2/b23-17+,24-18+
InChIKey DFSWWUOJEBTBSV-GJHDBBOXSA-N
Mol Weight 356.48 g/mol
Molecular Formula C24H20OS
Exact Mass 356.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1eZA6EskRS
Name 1-Mercapto-2,3,6-triphenylhexa-1,3-dien-5-one
Alternate Name(s) (3E,5E)-1,4,5-triphenyl-6-sulfanyl-3,5-hexadien-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20OS
InChI InChI=1S/C24H20OS/c25-22(16-19-10-4-1-5-11-19)17-23(20-12-6-2-7-13-20)24(18-26)21-14-8-3-9-15-21/h1-15,17-18,26H,16H2/b23-17+,24-18+
InChIKey DFSWWUOJEBTBSV-GJHDBBOXSA-N
Molecular Weight 356.483 g/mol
SMILES S\C=C\(\C(=C\C(Cc1ccccc1)=O)c1ccccc1)c1ccccc1
SPLASH splash10-000i-0009000000-1771b9e0cddf22a9e89e
Source of Spectrum SO-64-516-4
Wiley ID 1540750