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3-Amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID IcsoFJPHJQB
InChI InChI=1S/C13H11F3N2O5S/c1-2-22-12(19)11-10(17)9-7(23-5-13(14,15)16)3-6(18(20)21)4-8(9)24-11/h3-4H,2,5,17H2,1H3
InChIKey YBDUFKAQTUIKSS-UHFFFAOYSA-N
Mol Weight 364.3 g/mol
Molecular Formula C13H11F3N2O5S
Exact Mass 364.034077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nmvYhRuDY
Name 3-Amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester
Alternate Name(s) 3-Amino-6-nitro-4-(2,2,2-trifluoroethoxy)benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylate Ethyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)benzothiophene-2-carboxylate Ethyl 3-azanyl-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1-benzothiophene-2-carboxylate
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Formula C13H11F3N2O5S
InChI InChI=1S/C13H11F3N2O5S/c1-2-22-12(19)11-10(17)9-7(23-5-13(14,15)16)3-6(18(20)21)4-8(9)24-11/h3-4H,2,5,17H2,1H3
InChIKey YBDUFKAQTUIKSS-UHFFFAOYSA-N
Molecular Weight 364.295 g/mol
SMILES Nc1c(sc2cc(N(=O)=O)cc(c12)OCC(F)(F)F)C(=O)OCC
SPLASH splash10-03dj-0596000000-c1ef869298898f5ec67d
Wiley ID 1453030