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4-amino-3-nitrobenzoic acid
SpectraBase Compound ID GurGBRZLHkk
InChI InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)
InChIKey ZZNAYFWAXZJITH-UHFFFAOYSA-N
Mol Weight 182.14 g/mol
Molecular Formula C7H6N2O4
Exact Mass 182.032757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1N1z0ZwzKWj
Name Benzoic acid, 4-amino-3-nitro-
Alternate Name(s) 4-Amino-3-nitrobenzoic acid 3-Nitro-4-aminobenozic acid 3-Nitro-4-aminobenzoic acid 4-Amino-3-nitro-benzoic acid 4-Carboxy-2-nitroaniline EINECS 216-453-4 NSC 20673
CAS Registry Number 1588-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)
InChIKey ZZNAYFWAXZJITH-UHFFFAOYSA-N
Molecular Weight 182.135 g/mol
SMILES Nc1c(cc(C(=O)O)cc1)N(=O)=O
SPLASH splash10-001i-6900000000-2321aa64326c1e19ce89
Source of Spectrum W5-0-0-0
Wiley ID 1177926