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5-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID 7T5aJS9FJ28
InChI InChI=1S/C19H19BrClNO6S/c1-4-26-18(24)15-10(3)16(19(25)27-5-2)29-17(15)22-14(23)9-28-13-7-6-11(21)8-12(13)20/h6-8H,4-5,9H2,1-3H3,(H,22,23)
InChIKey HPERMQZHAJUHPT-UHFFFAOYSA-N
Mol Weight 504.78 g/mol
Molecular Formula C19H19BrClNO6S
Exact Mass 502.980499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8A3XGG2tQJA
Name 5-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
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Formula C19H19BrClNO6S
InChI InChI=1S/C19H19BrClNO6S/c1-4-26-18(24)15-10(3)16(19(25)27-5-2)29-17(15)22-14(23)9-28-13-7-6-11(21)8-12(13)20/h6-8H,4-5,9H2,1-3H3,(H,22,23)
InChIKey HPERMQZHAJUHPT-UHFFFAOYSA-N
Molecular Weight 504.779 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)OCC)C(=O)OCC)C(=O)COc1c(cc(cc1)Cl)Br
SPLASH splash10-00di-2791010000-8f5d1df647e762fb1188
Synonyms Diethyl 5-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Diethyl 5-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Diethyl 5-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Wiley ID 1460722