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3-Hydroxy-2,2-dimethyl-3-(4-methylphenyl)butanoic acid
SpectraBase Compound ID Bu139V9ZHsa
InChI InChI=1S/C13H18O3/c1-9-5-7-10(8-6-9)13(4,16)12(2,3)11(14)15/h5-8,16H,1-4H3,(H,14,15)
InChIKey ZFOSLROQLOTZHC-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RefeDSYbS1
Name 3-Hydroxy-2,2-dimethyl-3-(4-methylphenyl)butanoic acid
CAS Registry Number 108773-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-5-7-10(8-6-9)13(4,16)12(2,3)11(14)15/h5-8,16H,1-4H3,(H,14,15)
InChIKey ZFOSLROQLOTZHC-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(C(C(=O)O)(C)C)(c1ccc(cc1)C)C
SPLASH splash10-00kr-0900000000-b75329170538e9c26afb
Source of Spectrum J-52-3148-0
Synonyms 3-Hydroxy-2,2-dimethyl-3-(p-tolyl)butanoic acid 2,2-Dimethyl-3-(4-methylphenyl)-3-oxidanyl-butanoic acid
Wiley ID 1222600