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5-(4-Methylphenyl)-1,1-bis(methylthio)-3-hydroxy-1,3-pentadien-5-one
SpectraBase Compound ID Cfe1rjhpxHn
InChI InChI=1S/C14H16O2S2/c1-10-4-6-11(7-5-10)13(16)8-12(15)9-14(17-2)18-3/h4-9,15H,1-3H3/b12-8-
InChIKey NXZZJXIMIBWNLS-WQLSENKSSA-N
Mol Weight 280.4 g/mol
Molecular Formula C14H16O2S2
Exact Mass 280.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82L0BVZaoNT
Name 5-(4-Methylphenyl)-1,1-bis(methylthio)-3-hydroxy-1,3-pentadien-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S2
InChI InChI=1S/C14H16O2S2/c1-10-4-6-11(7-5-10)13(16)8-12(15)9-14(17-2)18-3/h4-9,15H,1-3H3/b12-8-
InChIKey NXZZJXIMIBWNLS-WQLSENKSSA-N
Molecular Weight 280.400 g/mol
SMILES O\C(C=C(SC)SC)=C/C(=O)c1ccc(cc1)C
SPLASH splash10-00ls-3970000000-a5cdf1e84251469abe0e
Source of Spectrum SO-0-874-3
Synonyms (2Z)-3-hydroxy-1-(4-methylphenyl)-5,5-bis(methylsulfanyl)-2,4-pentadien-1-one
Wiley ID 1539543