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2-(4'-Methoxybenzoyl)-3,3-bis(benzylthio)-2-propenal
SpectraBase Compound ID AFxthquuNg1
InChI InChI=1S/C25H22O3S2/c1-28-22-14-12-21(13-15-22)24(27)23(16-26)25(29-17-19-8-4-2-5-9-19)30-18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3
InChIKey QAPVXWWTMXFPSM-UHFFFAOYSA-N
Mol Weight 434.57 g/mol
Molecular Formula C25H22O3S2
Exact Mass 434.101037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXjhRzksLRF
Name 2-(4'-Methoxybenzoyl)-3,3-bis(benzylthio)-2-propenal
CAS Registry Number 138696-51-2
Comments Less than 3 mono-isotopic peaks
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Formula C25H22O3S2
InChI InChI=1S/C25H22O3S2/c1-28-22-14-12-21(13-15-22)24(27)23(16-26)25(29-17-19-8-4-2-5-9-19)30-18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3
InChIKey QAPVXWWTMXFPSM-UHFFFAOYSA-N
Molecular Weight 434.568 g/mol
SMILES C(=C(SCc1ccccc1)SCc1ccccc1)(C(c1ccc(cc1)OC)=O)C=O
SPLASH splash10-0006-9003000000-394d8ee6402551efb30f
Source of Spectrum U-1992-390-3
Synonyms 3,3-bis(benzylsulfanyl)-2-(4-methoxybenzoyl)acrylaldehyde
Wiley ID 764217