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m-Toluic acid

View entire compound with spectra: 58 NMR, 6 FTIR, and 10 MS (GC)

m-Toluic acid
SpectraBase Compound ID BXvpR4iCAKc
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnhxXbSDSCo
Name 3-Methyl-benzoic acid
CAS Registry Number 99-04-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H8O2
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference P.E. Hansen, O.K. Poulsen, A.Berg, Org. Magn. Resonance 9, 649 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3