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m-nitrobenzoic acid, methyl ester

View entire compound with spectra: 13 NMR, 6 FTIR, 1 Raman, and 4 MS (GC)

m-nitrobenzoic acid, methyl ester
SpectraBase Compound ID D19XoIFjYkc
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
InChIKey AXLYJLKKPUICKV-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 8wnO3eoU7T4
Name Benzoic acid, 3-nitro-, methyl ester
Alternate Name(s) 3-Nitrobenzoic acid methyl ester 3-O2N-C6H4-COOCH3 Benzoic acid, m-nitro-, methyl ester m-Nitrobenzoic acid, methyl ester Methyl 3-nitrobenzoate Methyl m-nitrobenzoate Methyl meta-nitrobenzoate AI3-08853 EINECS 210-573-0 NSC 1327
CAS Registry Number 618-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
InChIKey AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES COC(=O)c1cc(N(=O)=O)ccc1
SPLASH splash10-0udi-9700000000-8cb3e358d39262fc2a64
Source of Spectrum W5-12527-0-0
Wiley ID 1177265