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5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester

View entire compound with spectra: 1 MS (GC)

5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID 1Y9cfAXAp2s
InChI InChI=1S/C18H17ClN2O7S/c1-4-27-17(23)13-9(3)14(18(24)28-5-2)29-16(13)20-15(22)11-7-6-10(21(25)26)8-12(11)19/h6-8H,4-5H2,1-3H3,(H,20,22)
InChIKey DMZIVBOKXGQXQM-UHFFFAOYSA-N
Mol Weight 440.85 g/mol
Molecular Formula C18H17ClN2O7S
Exact Mass 440.0445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID By8EhosZRqY
Name 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Diethyl 5-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate Diethyl 5-[(2-chloro-4-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
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Formula C18H17ClN2O7S
InChI InChI=1S/C18H17ClN2O7S/c1-4-27-17(23)13-9(3)14(18(24)28-5-2)29-16(13)20-15(22)11-7-6-10(21(25)26)8-12(11)19/h6-8H,4-5H2,1-3H3,(H,20,22)
InChIKey DMZIVBOKXGQXQM-UHFFFAOYSA-N
Molecular Weight 440.854 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)OCC)C(=O)OCC)C(c1c(cc(N(=O)=O)cc1)Cl)=O
SPLASH splash10-001u-1902100000-97eeeb5f16087f19b432
Wiley ID 1460721