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1-Mercapto-2,3-diphenylhepta-1,3-dien-5-one
SpectraBase Compound ID 9bFArSSUZgr
InChI InChI=1S/C19H18OS/c1-2-17(20)13-18(15-9-5-3-6-10-15)19(14-21)16-11-7-4-8-12-16/h3-14,21H,2H2,1H3/b18-13+,19-14+
InChIKey IAUMDVUUKBQNNC-JIBZRZDWSA-N
Mol Weight 294.41 g/mol
Molecular Formula C19H18OS
Exact Mass 294.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DU3t0aKETDq
Name 1-Mercapto-2,3-diphenylhepta-1,3-dien-5-one
Alternate Name(s) (4E,6E)-5,6-diphenyl-7-sulfanyl-4,6-heptadien-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C19H18OS
InChI InChI=1S/C19H18OS/c1-2-17(20)13-18(15-9-5-3-6-10-15)19(14-21)16-11-7-4-8-12-16/h3-14,21H,2H2,1H3/b18-13+,19-14+
InChIKey IAUMDVUUKBQNNC-JIBZRZDWSA-N
Molecular Weight 294.412 g/mol
SMILES S\C=C\(\C(=C\C(CC)=O)c1ccccc1)c1ccccc1
SPLASH splash10-00di-0930000000-0115a1deb4a6e0567ec5
Source of Spectrum SO-64-516-4
Wiley ID 1540751