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6-Nitro-m-toluic acid

View entire compound with spectra: 5 NMR, 4 FTIR, and 1 Raman

6-Nitro-m-toluic acid
SpectraBase Compound ID 7JbifXCkJ0n
InChI InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey QRRSIFNWHCKMSW-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 LJASwDKXvuq
Name 5-Methyl-2-nitrobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 113409
CAS Registry Number 3113-72-2
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/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey QRRSIFNWHCKMSW-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 6-Nitro-m-toluic acid
Wiley ID SIAL_13CNMR_000414