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4-Methylmandelic acid

View entire compound with spectra: 1 MS (GC)

4-Methylmandelic acid
SpectraBase Compound ID CG4ilKH1SHI
InChI InChI=1S/C9H10O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
InChIKey SFGURAWGCAPHON-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8607y2PnyhC
Name 4-Methylmandelic acid
Alternate Name(s) 2-(4-Methylphenyl)-2-oxidanyl-ethanoic acid 2-Hydroxy-2-(4-methylphenyl)acetic acid 2-Hydroxy-2-(p-tolyl)acetic acid Hydroxy(4-methylphenyl)acetic acid
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Formula C9H10O3
InChI InChI=1S/C9H10O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
InChIKey SFGURAWGCAPHON-UHFFFAOYSA-N
Molecular Weight 166.176 g/mol
SMILES OC(C(=O)O)c1ccc(cc1)C
SPLASH splash10-006x-9400000000-c8c44052c7caf89418c2
Source of Spectrum IC-318-0-0
Wiley ID 1162166