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Benzoic acid, 2,4,5-trimethyl-

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Benzoic acid, 2,4,5-trimethyl-
SpectraBase Compound ID 3gst1AF1HgE
InChI InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChIKey QENJZWZWAWWESF-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qilLsohx5n
Name 2,4,5-Trimethyl-benzoic acid
CAS Registry Number 528-90-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChIKey QENJZWZWAWWESF-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J. Guilleme, E. Diez, F.J. Bermejo, Magn. Res. Chem. 23, 442 (1985).
NMR Standard Benzene
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3