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2,4,6-Trimethylmandelic acid

View entire compound with spectra: 2 MS (GC)

2,4,6-Trimethylmandelic acid
SpectraBase Compound ID FNvDqzEwdgu
InChI InChI=1S/C11H14O3/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)
InChIKey IRQXVXUXARGLQG-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3H8j31i2Np6
Name 2,4,6-Trimethylmandelic acid
Alternate Name(s) 2-Hydroxy-2-(2,4,6-trimethylphenyl)acetic acid 2-Hydroxy-2-mesityl-acetic acid 2-Oxidanyl-2-(2,4,6-trimethylphenyl)ethanoic acid Hydroxy(mesityl)acetic acid
CAS Registry Number 20797-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)
InChIKey IRQXVXUXARGLQG-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES OC(C(c1c(cc(cc1C)C)C)O)=O
SPLASH splash10-0002-5900000000-9d5da6d5a38512297d37
Wiley ID 1474272