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4-Nitro-benzoic acid, methyl ester

View entire compound with spectra: 24 NMR, 6 FTIR, 1 Raman, 1 UV-Vis, and 9 MS (GC)

4-Nitro-benzoic acid, methyl ester
SpectraBase Compound ID A6hMuuoUySt
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey YOJAHJGBFDPSDI-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oHQkhSgl7n
Name Benzoic acid, 4-nitro-, methyl ester
Alternate Name(s) Methyl 4-nitrobenzoate 4-Nitrobenzoic acid methyl ester Benzoic acid, p-nitro-, methyl ester Methyl ester of 4-Nitrobenzoic acid Methyl p-nitrobenzoate Methyl para-nitrobenzoate Methyl-p-nitrobenzoate p-Carbomethoxynitrobenzene p-Nitrobenzoic acid methyl ester AI3-02241 EINECS 210-599-2 NSC 4137
CAS Registry Number 619-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey YOJAHJGBFDPSDI-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES COC(=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0udi-2900000000-79a1418c7aee70830030
Source of Spectrum IC-394-0-0
Wiley ID 1177268