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2-Amino-3-nitrobenzoic acid, methyl ester

View entire compound with spectra: 2 MS (GC)

2-Amino-3-nitrobenzoic acid, methyl ester
SpectraBase Compound ID CqbA5dcM8rc
InChI InChI=1S/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3
InChIKey HDCLJQZLTMJECA-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 GsTzLCy0m5z
Name 2-Amino-3-nitrobenzoic acid, methyl ester
CAS Registry Number 57113-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O4
InChI InChI=1S/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3
InChIKey HDCLJQZLTMJECA-UHFFFAOYSA-N
Molecular Weight 196.162 g/mol
SMILES Nc1c(cccc1N(=O)=O)C(=O)OC
SPLASH splash10-0292-5900000000-f8897c87686b335d15bc
Synonyms Methyl 2-amino-3-nitro-benzoate Methyl 2-azanyl-3-nitro-benzoate 2-Amino-3-nitrobenzoic acid methyl ester Methyl 2-amino-3-nitrobenzoate
Wiley ID 1475116