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3-Nitro-p-toluic acid

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

3-Nitro-p-toluic acid
SpectraBase Compound ID IoV20p0Opqb
InChI InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey BBEWSMNRCUXQRF-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Djj2UrFHFP9
Name 4-Methyl-3-nitrobenzoic acid
Source of Sample Aldrich
Catalog Number 151408
CAS Registry Number 96-98-0
Classification Aromatic carboxylic acids
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey BBEWSMNRCUXQRF-UHFFFAOYSA-N
Purity 99%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Nitro-p-toluic acid
Technique Mull
Wiley ID SIAL_FTIR_1_1557