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3-Methyl-4-nitrobenzoic acid

View entire compound with spectra: 4 NMR, 6 FTIR, 1 Raman, and 2 UV-Vis

3-Methyl-4-nitrobenzoic acid
SpectraBase Compound ID L2eYjlx4tNW
InChI InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey XDTTUTIFWDAMIX-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LaaRjesUu0f
Name 3-Methyl-4-nitrobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number M60600
CAS Registry Number 3113-71-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey XDTTUTIFWDAMIX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Nitro-m-toluic acid
Wiley ID SIAL_13CNMR_012350