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Benzoic acid, 4-amino-3,5-dinitro-, methyl ester
SpectraBase Compound ID 4zW1PTo4nwE
InChI InChI=1S/C8H7N3O6/c1-17-8(12)4-2-5(10(13)14)7(9)6(3-4)11(15)16/h2-3H,9H2,1H3
InChIKey PXMURBICUSFNIK-UHFFFAOYSA-N
Mol Weight 241.16 g/mol
Molecular Formula C8H7N3O6
Exact Mass 241.033485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HGfgBG4fcg
Name Benzoic acid, 4-amino-3,5-dinitro-, methyl ester
Alternate Name(s) Methyl 4-amino-3,5-dinitrobenzoate 4-Amino-3,5-dinitrobenzoic acid methyl ester Methyl 4-amino-3,5-dinitro-benzoate Methyl 4-azanyl-3,5-dinitro-benzoate
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Formula C8H7N3O6
InChI InChI=1S/C8H7N3O6/c1-17-8(12)4-2-5(10(13)14)7(9)6(3-4)11(15)16/h2-3H,9H2,1H3
InChIKey PXMURBICUSFNIK-UHFFFAOYSA-N
Molecular Weight 241.159 g/mol
SMILES Nc1c(cc(cc1N(=O)=O)C(=O)OC)N(=O)=O
SPLASH splash10-03dl-9430000000-5013e9bd84e5cb17f3fd
Source of Spectrum IY-2-5129-0
Wiley ID 1659273