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5-Acetyl-2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID BPvlFCjD7Tu
InChI InChI=1S/C17H15ClN2O6S/c1-4-26-17(23)13-8(2)14(9(3)21)27-16(13)19-15(22)11-7-10(20(24)25)5-6-12(11)18/h5-7H,4H2,1-3H3,(H,19,22)
InChIKey BYIXFSGAFISCPL-UHFFFAOYSA-N
Mol Weight 410.83 g/mol
Molecular Formula C17H15ClN2O6S
Exact Mass 410.033935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gb2QSxaeyEY
Name 5-Acetyl-2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
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Formula C17H15ClN2O6S
InChI InChI=1S/C17H15ClN2O6S/c1-4-26-17(23)13-8(2)14(9(3)21)27-16(13)19-15(22)11-7-10(20(24)25)5-6-12(11)18/h5-7H,4H2,1-3H3,(H,19,22)
InChIKey BYIXFSGAFISCPL-UHFFFAOYSA-N
Molecular Weight 410.828 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)C)C(=O)OCC)C(c1cc(N(=O)=O)ccc1Cl)=O
SPLASH splash10-001r-1901000000-0ab6a7beb917dd959c51
Synonyms Ethyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Ethyl 5-acetyl-2-[(2-chloro-5-nitro-benzoyl)amino]-4-methyl-thiophene-3-carboxylate Ethyl 5-acetyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate
Wiley ID 1462551