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4-Amino-5-(5-bromothiophene-2-carbonyl)-N-(4-methoxyphenyl)-2-(phenylamino)-thiophene-3-carboxamide
SpectraBase Compound ID JB8Ed9iTB7w
InChI InChI=1S/C23H18BrN3O3S2/c1-30-15-9-7-14(8-10-15)26-22(29)18-19(25)21(20(28)16-11-12-17(24)31-16)32-23(18)27-13-5-3-2-4-6-13/h2-12,27H,25H2,1H3,(H,26,29)
InChIKey OJVDPTIYKWJFEC-UHFFFAOYSA-N
Mol Weight 528.44 g/mol
Molecular Formula C23H18BrN3O3S2
Exact Mass 526.997297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eA8LExU8Ik
Name 4-Amino-5-(5-bromothiophene-2-carbonyl)-N-(4-methoxyphenyl)-2-(phenylamino)-thiophene-3-carboxamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18BrN3O3S2
InChI InChI=1S/C23H18BrN3O3S2/c1-30-15-9-7-14(8-10-15)26-22(29)18-19(25)21(20(28)16-11-12-17(24)31-16)32-23(18)27-13-5-3-2-4-6-13/h2-12,27H,25H2,1H3,(H,26,29)
InChIKey OJVDPTIYKWJFEC-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4122
Molecular Weight 528.439 g/mol
SMILES N(c1sc(c(c1C(=O)Nc1ccc(cc1)OC)N)C(c1ccc(s1)Br)=O)c1ccccc1
SPLASH splash10-0a4i-9000000000-6069b457c0c038edb8df
Source of Spectrum Y-57-4161-25c
Wiley ID 1859934