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2-(4-(5-Bromobenzofuran-2-yl)thiazol-2-yl)-3,3-bis(methylthio) acrylonitrile
SpectraBase Compound ID EUhLCDVWbY3
InChI InChI=1S/C16H11BrN2OS3/c1-21-16(22-2)11(7-18)15-19-12(8-23-15)14-6-9-5-10(17)3-4-13(9)20-14/h3-6,8H,1-2H3
InChIKey NTQJPAZBVSYVEW-UHFFFAOYSA-N
Mol Weight 423.36 g/mol
Molecular Formula C16H11BrN2OS3
Exact Mass 421.92169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10nqV9IdNqq
Name 2-(4-(5-Bromobenzofuran-2-yl)thiazol-2-yl)-3,3-bis(methylthio) acrylonitrile
Appearance Red crystals
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Formula C16H11BrN2OS3
InChI InChI=1S/C16H11BrN2OS3/c1-21-16(22-2)11(7-18)15-19-12(8-23-15)14-6-9-5-10(17)3-4-13(9)20-14/h3-6,8H,1-2H3
InChIKey NTQJPAZBVSYVEW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2383
Molecular Weight 423.361 g/mol
SMILES c1(Br)cc2c(cc1)oc(c2)-c1nc(sc1)C(=C(SC)SC)C#N
SPLASH splash10-00xr-3200900000-c738fc2ec64942e7adf6
Source of Spectrum Y-53-1300-27
Wiley ID 1877713