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4-(1,3-benzodioxol-5-ylamino)-2,5,6-trichloro-3-pyridinecarboxylic acid ethyl ester
SpectraBase Compound ID Iv15jkt9AAs
InChI InChI=1S/C15H11Cl3N2O4/c1-2-22-15(21)10-12(11(16)14(18)20-13(10)17)19-7-3-4-8-9(5-7)24-6-23-8/h3-5H,2,6H2,1H3,(H,19,20)
InChIKey RBQQVOXNFNVWJY-UHFFFAOYSA-N
Mol Weight 389.62 g/mol
Molecular Formula C15H11Cl3N2O4
Exact Mass 387.97844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKVZd2Nqags
Name 4-(1,3-benzodioxol-5-ylamino)-2,5,6-trichloro-3-pyridinecarboxylic acid ethyl ester
Alternate Name(s) 4-(1,3-benzodioxol-5-ylamino)-2,5,6-trichloro-nicotinic acid ethyl ester Ethyl 4-(1,3-benzodioxol-5-ylamino)-2,5,6-trichloro-pyridine-3-carboxylate Ethyl 4-(1,3-benzodioxol-5-ylamino)-2,5,6-tris(chloranyl)pyridine-3-carboxylate
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Formula C15H11Cl3N2O4
InChI InChI=1S/C15H11Cl3N2O4/c1-2-22-15(21)10-12(11(16)14(18)20-13(10)17)19-7-3-4-8-9(5-7)24-6-23-8/h3-5H,2,6H2,1H3,(H,19,20)
InChIKey RBQQVOXNFNVWJY-UHFFFAOYSA-N
Molecular Weight 389.622 g/mol
SMILES N(c1c(c(nc(Cl)c1Cl)Cl)C(=O)OCC)c1cc2OCOc2cc1
SPLASH splash10-052f-0369000000-b49c40a39a8063cd7646
Wiley ID 1452038