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3-Nitro-benzoic acid
SpectraBase Compound ID Ct4JIqjayv8
InChI InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChIKey AFPHTEQTJZKQAQ-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 CRUhhFgjUgf
Name Benzoic acid, 3-nitro-
Alternate Name(s) 3-Nitrobenzoic acid Benzoic acid, m-nitro- m-Nitrobenzenecarboxylic acid m-Nitrobenzoic acid Metanitrobenzoic acid AI3-09015 BRN 0908644 CCRIS 2335 EINECS 204-508-5 HSDB 6028 NSC 9801
CAS Registry Number 121-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NO4
InChI InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChIKey AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Weight 167.120 g/mol
SMILES OC(c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-014i-9500000000-027a45c9c94c014d0358
Source of Spectrum AA-0-1092-3
Wiley ID 14630