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Ethyl 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(phenylamino)thiophene-3-carboxylate
SpectraBase Compound ID 7Jf7L5kybAJ
InChI InChI=1S/C18H15BrN2O3S2/c1-2-24-18(23)13-14(20)16(15(22)11-8-9-12(19)25-11)26-17(13)21-10-6-4-3-5-7-10/h3-9,21H,2,20H2,1H3
InChIKey CNWPIWXPDCQXEP-UHFFFAOYSA-N
Mol Weight 451.35 g/mol
Molecular Formula C18H15BrN2O3S2
Exact Mass 449.970748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F00gMPEr31i
Name Ethyl 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(phenylamino)thiophene-3-carboxylate
Appearance Orange crystals
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Formula C18H15BrN2O3S2
InChI InChI=1S/C18H15BrN2O3S2/c1-2-24-18(23)13-14(20)16(15(22)11-8-9-12(19)25-11)26-17(13)21-10-6-4-3-5-7-10/h3-9,21H,2,20H2,1H3
InChIKey CNWPIWXPDCQXEP-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4122
Molecular Weight 451.353 g/mol
SMILES N(c1c(c(c(s1)C(c1ccc(s1)Br)=O)N)C(=O)OCC)c1ccccc1
SPLASH splash10-00di-0009000000-3e2e95f5b6a237205629
Source of Spectrum Y-57-4160-20b
Wiley ID 1859930