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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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gjewN7gqN9
Name 3-METHYL-4-NITRO-BENZOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author K.KNEPPER,S.BRASE
Literature Reference Citation ORG.LETTERS,5,2829(2003)
Literature Reference DOI 10.1021/ol034851y
Molecular Weight 181.148 g/mol
Sample ID 38142
Solvent CD3OD