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4-amino-2-anilino-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile
SpectraBase Compound ID HfxrCdF48or
InChI InChI=1S/C16H10BrN3OS2/c17-12-7-6-11(22-12)14(21)15-13(19)10(8-18)16(23-15)20-9-4-2-1-3-5-9/h1-7,20H,19H2
InChIKey JJPRFSJRUXUVGB-UHFFFAOYSA-N
Mol Weight 404.3 g/mol
Molecular Formula C16H10BrN3OS2
Exact Mass 402.944867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IiMlWHHk0Dq
Name 4-amino-2-anilino-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile
Appearance Brown powder
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Formula C16H10BrN3OS2
InChI InChI=1S/C16H10BrN3OS2/c17-12-7-6-11(22-12)14(21)15-13(19)10(8-18)16(23-15)20-9-4-2-1-3-5-9/h1-7,20H,19H2
InChIKey JJPRFSJRUXUVGB-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4122
Molecular Weight 404.300 g/mol
SMILES N(c1c(c(c(s1)C(c1ccc(s1)Br)=O)N)C#N)c1ccccc1
SPLASH splash10-0006-9000000000-d524fab140880c782425
Source of Spectrum Y-57-4160-20a
Wiley ID 1859929