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3-Amino-5-nitro-benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

3-Amino-5-nitro-benzoic acid methyl ester
SpectraBase Compound ID 6AeFwXfGyE0
InChI InChI=1S/C8H8N2O4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,9H2,1H3
InChIKey HZVBRLJDOZZHFL-UHFFFAOYSA-N
Mol Weight 196.16 g/mol
Molecular Formula C8H8N2O4
Exact Mass 196.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ie408ZGlbZU
Name 3-Amino-5-nitro-benzoic acid methyl ester
CAS Registry Number 23218-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O4
InChI InChI=1S/C8H8N2O4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,9H2,1H3
InChIKey HZVBRLJDOZZHFL-UHFFFAOYSA-N
Molecular Weight 196.162 g/mol
SMILES Nc1cc(N(=O)=O)cc(C(=O)OC)c1
SPLASH splash10-0002-0900000000-ff225511e915b8206367
Source of Spectrum W5-14940-0-0
Synonyms Methyl 3-amino-5-nitro-benzoate Methyl 3-azanyl-5-nitro-benzoate 3-Amino-5-nitrobenzoic acid methyl ester
Wiley ID 1192559