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2-(4-chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enal
SpectraBase Compound ID CIKAZYm9AtX
InChI InChI=1S/C12H11ClO2S2/c1-16-12(17-2)10(7-14)11(15)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKey AQCQOTWYVPJFSF-UHFFFAOYSA-N
Mol Weight 286.79 g/mol
Molecular Formula C12H11ClO2S2
Exact Mass 285.9889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7IJV4nTf0R
Name 2-(4-chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enal
CAS Registry Number 137621-83-1
Comments Less than 3 mono-isotopic peaks
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Formula C12H11ClO2S2
InChI InChI=1S/C12H11ClO2S2/c1-16-12(17-2)10(7-14)11(15)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKey AQCQOTWYVPJFSF-UHFFFAOYSA-N
Molecular Weight 286.791 g/mol
SMILES C(C(c1ccc(cc1)Cl)=O)(=C(SC)SC)C=O
SPLASH splash10-000i-0900000000-1d20254c355ed42209c9
Source of Spectrum U-1992-389-3
Synonyms 2-(4-chlorobenzoyl)-3,3-bis(methylthio)acrolein 2-(4-chlorophenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enal 2-[(4-chlorophenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenal
Wiley ID 764221