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2,4,6-Trimethylbenzoic acid
SpectraBase Compound ID Ancv2EWh2jb
InChI InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKey FFFIRKXTFQCCKJ-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rTg1forLLM
Name 2,4,6-TRIMETHYLBENZOIC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKey FFFIRKXTFQCCKJ-UHFFFAOYSA-N
Literature Reference Author A.L.BAUMSTARK,P.BALAKRISHNAN,M.DOTRONG,C.J.MCCLOSKEY,M.G.OAK LEY,D.W.BOYKIN
Literature Reference Citation J.AM.CHEM.SOC.,109,1059(1987)
Literature Reference DOI 10.1021/ja00238a013
Solvent CH3CN
Source File Reference UHPK305