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3-Amino-6-nitro-4-phenylsulfanyl-benzo[b]thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID Gcbv4dIOSe
InChI InChI=1S/C16H12N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h2-8H,17H2,1H3
InChIKey JTEZJHUTNNVQGZ-UHFFFAOYSA-N
Mol Weight 360.4 g/mol
Molecular Formula C16H12N2O4S2
Exact Mass 360.023849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJtsSfFycUT
Name 3-Amino-6-nitro-4-phenylsulfanyl-benzo[b]thiophene-2-carboxylic acid methyl ester
Alternate Name(s) 3-Amino-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid methyl ester 3-Amino-6-nitro-4-(phenylthio)benzothiophene-2-carboxylic acid methyl ester Methyl 3-amino-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Methyl 3-amino-6-nitro-4-phenylsulfanyl-benzothiophene-2-carboxylate Methyl 3-azanyl-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate
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Formula C16H12N2O4S2
InChI InChI=1S/C16H12N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h2-8H,17H2,1H3
InChIKey JTEZJHUTNNVQGZ-UHFFFAOYSA-N
Molecular Weight 360.402 g/mol
SMILES Nc1c(sc2cc(N(=O)=O)cc(c12)Sc1ccccc1)C(=O)OC
SPLASH splash10-03e9-1694000000-6752d3d9dfec0584d065
Wiley ID 1462254