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1,3-Benzenedicarboxylic acid, 5-amino-2-nitro-
SpectraBase Compound ID 8hwjXZ5BNEf
InChI InChI=1S/C8H6N2O6/c9-3-1-4(7(11)12)6(10(15)16)5(2-3)8(13)14/h1-2H,9H2,(H,11,12)(H,13,14)
InChIKey TWSSYWQVGXTTQW-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HQJxwm2G9U
Name 1,3-Benzenedicarboxylic acid, 5-amino-2-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O6
InChI InChI=1S/C8H6N2O6/c9-3-1-4(7(11)12)6(10(15)16)5(2-3)8(13)14/h1-2H,9H2,(H,11,12)(H,13,14)
InChIKey TWSSYWQVGXTTQW-UHFFFAOYSA-N
Molecular Weight 226.144 g/mol
SMILES Nc1cc(c(c(C(O)=O)c1)[N+]([O-])=O)C(O)=O
SPLASH splash10-056s-9510000000-da9b5d0182e4ebcff3ee
Source of Spectrum JX-2015-0-681
Synonyms 5-Amino-2-nitroisophthalic acid 5-Amino-2-nitrobenzene-1,3-dicarboxylic acid 5-Amino-2-nitro-benzene-1,3-dicarboxylic acid 5-Azanyl-2-nitro-benzene-1,3-dicarboxylic acid
Wiley ID 1720592