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3-Anilino-2-(4'-bromobenzoyl)-3-(methylthio)-2-propenal
SpectraBase Compound ID 57aEz71YBKX
InChI InChI=1S/C17H14BrNO2S/c1-22-17(19-14-5-3-2-4-6-14)15(11-20)16(21)12-7-9-13(18)10-8-12/h2-11,19H,1H3/b17-15-
InChIKey QUJUQCDKCRQVCD-ICFOKQHNSA-N
Mol Weight 376.27 g/mol
Molecular Formula C17H14BrNO2S
Exact Mass 374.992863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAsdoZ9Xfso
Name 3-Anilino-2-(4'-bromobenzoyl)-3-(methylthio)-2-propenal
CAS Registry Number 138696-76-1
Comments Less than 3 mono-isotopic peaks
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Formula C17H14BrNO2S
InChI InChI=1S/C17H14BrNO2S/c1-22-17(19-14-5-3-2-4-6-14)15(11-20)16(21)12-7-9-13(18)10-8-12/h2-11,19H,1H3/b17-15-
InChIKey QUJUQCDKCRQVCD-ICFOKQHNSA-N
Molecular Weight 376.268 g/mol
SMILES N(\C(=C\(C(c1ccc(cc1)Br)=O)C=O)SC)c1ccccc1
SPLASH splash10-000i-0904000000-ded1a36e56952679b332
Source of Spectrum U-1992-393-10
Synonyms (2Z)-3-anilino-2-(4-bromobenzoyl)-3-(methylsulfanyl)-2-propenal
Wiley ID 764199