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3-Hydroxy-2,2-dimethyl-5-phenylpentanoic acid
SpectraBase Compound ID 9yt3HfSjA2s
InChI InChI=1S/C13H18O3/c1-13(2,12(15)16)11(14)9-8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,15,16)
InChIKey YDUQGSFTCUKKCF-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 GzmIPopcydv
Name 3-Hydroxy-2,2-dimethyl-5-phenylpentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13(2,12(15)16)11(14)9-8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,15,16)
InChIKey YDUQGSFTCUKKCF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol3001443
Molecular Weight 222.284 g/mol
SMILES OC(C(C(O)=O)(C)C)CCc1ccccc1
SPLASH splash10-014u-9720000000-eafa3730c30cc401efa7
Source of Spectrum A1-14-1168/SMS16-3ad
Synonyms 3-Hydroxy-2,2-dimethyl-5-phenyl-pentanoic acid 2,2-Dimethyl-3-oxidanyl-5-phenyl-pentanoic acid
Wiley ID 1750121