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Benzo[b]thiophene-2-carboxylic acid, 3-acetoxy-4,6-dinitro-, methyl ester
SpectraBase Compound ID HbCJPFBzayU
InChI InChI=1S/C12H8N2O8S/c1-5(15)22-10-9-7(14(19)20)3-6(13(17)18)4-8(9)23-11(10)12(16)21-2/h3-4H,1-2H3
InChIKey JBEALWVCMTVPEC-UHFFFAOYSA-N
Mol Weight 340.26 g/mol
Molecular Formula C12H8N2O8S
Exact Mass 340.000136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQSAnzZK2K2
Name Benzo[b]thiophene-2-carboxylic acid, 3-acetoxy-4,6-dinitro-, methyl ester
Alternate Name(s) 3-Acetoxy-4,6-dinitro-benzothiophene-2-carboxylic acid methyl ester 3-Acetyloxy-4,6-dinitro-1-benzothiophene-2-carboxylic acid methyl ester Methyl 3-acetoxy-4,6-dinitro-benzothiophene-2-carboxylate Methyl 3-acetyloxy-4,6-dinitro-1-benzothiophene-2-carboxylate
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Formula C12H8N2O8S
InChI InChI=1S/C12H8N2O8S/c1-5(15)22-10-9-7(14(19)20)3-6(13(17)18)4-8(9)23-11(10)12(16)21-2/h3-4H,1-2H3
InChIKey JBEALWVCMTVPEC-UHFFFAOYSA-N
Molecular Weight 340.262 g/mol
SMILES c1(c(c2c(N(=O)=O)cc(N(=O)=O)cc2s1)OC(=O)C)C(=O)OC
SPLASH splash10-0006-9220000000-1b21547a6f8d2f9c2c90
Wiley ID 1440563