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4-Amino-5-(5-bromothiophene-2-carbonyl)-2-(phenylamino)thiophen-3-carboxamide
SpectraBase Compound ID GfUwA0t4Fmo
InChI InChI=1S/C16H12BrN3O2S2/c17-10-7-6-9(23-10)13(21)14-12(18)11(15(19)22)16(24-14)20-8-4-2-1-3-5-8/h1-7,20H,18H2,(H2,19,22)
InChIKey VDFOBFUXBTZTDU-UHFFFAOYSA-N
Mol Weight 422.32 g/mol
Molecular Formula C16H12BrN3O2S2
Exact Mass 420.955432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MkVgUIjphf
Name 4-Amino-5-(5-bromothiophene-2-carbonyl)-2-(phenylamino)thiophen-3-carboxamide
Appearance Light brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrN3O2S2
InChI InChI=1S/C16H12BrN3O2S2/c17-10-7-6-9(23-10)13(21)14-12(18)11(15(19)22)16(24-14)20-8-4-2-1-3-5-8/h1-7,20H,18H2,(H2,19,22)
InChIKey VDFOBFUXBTZTDU-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4122
Molecular Weight 422.315 g/mol
SMILES N(c1sc(c(c1C(=O)N)N)C(c1ccc(s1)Br)=O)c1ccccc1
SPLASH splash10-0a4i-0090000000-e0ef2b922828538142d6
Source of Spectrum Y-57-4161-20c
Wiley ID 1859931