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beta-ETHYL-beta-HYDROXYHYDROCINNAMIC ACID

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

beta-ETHYL-beta-HYDROXYHYDROCINNAMIC ACID
SpectraBase Compound ID DPZ6a0D16Wf
InChI InChI=1S/C11H14O3/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H,12,13)
InChIKey AABQFWMUVKJALN-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 Ivwe2Jlt2IV
Name 3-Hydroxy-3-phenylpentanoic acid
CAS Registry Number 13278-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H,12,13)
InChIKey AABQFWMUVKJALN-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES OC(CC(O)=O)(c1ccccc1)CC
SPLASH splash10-0a4i-3900000000-c9a52a8ea9bf6647be8c
Source of Spectrum NP-3-7520-0
Synonyms 3-Hydroxy-3-phenylvaleric acid 3-Hydroxy-3-phenyl-pentanoic acid 3-Oxidanyl-3-phenyl-pentanoic acid
Wiley ID 1103166