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2-Nitro-benzoic acid
SpectraBase Compound ID 3pl3MxATJOe
InChI InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey SLAMLWHELXOEJZ-UHFFFAOYSA-N
Mol Weight 167.12 g/mol
Molecular Formula C7H5NO4
Exact Mass 167.021858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KT95bMNBi2l
Name Benzoic acid, 2-nitro-
CAS Registry Number 552-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NO4
InChI InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Weight 167.120 g/mol
SMILES OC(=O)c1c(N(=O)=O)cccc1
SPLASH splash10-014i-9300000000-102094045781235114c6
Source of Spectrum O-3-995-1
Synonyms 2-Nitrobenzoic acid Benzoic acid, o-nitro- O-carboxynitrobenzene o-Nitrobenzoic acid AI3-08821 CCRIS 2334 EINECS 209-004-9 NSC 9576
Wiley ID 1163415