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4-Phenylvaleric acid

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

4-Phenylvaleric acid
SpectraBase Compound ID 33aSsQlBSGd
InChI InChI=1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKey UIIMQLPOAXFKFW-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KV784v5YhxY
Name 4-Phenylvaleric acid
Alternate Name(s) 4-Phenylpentanoic acid Benzenebutanoic acid, .gamma.-methyl- Benzenebutanoic acid, gamma-methyl- gamma-Methylbenzenebutanoic acid Pentanoic acid, 4-phenyl- Valeric acid, 4-phenyl-
CAS Registry Number 16433-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKey UIIMQLPOAXFKFW-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES OC(CCC(c1ccccc1)C)=O
SPLASH splash10-0a4i-9800000000-b85c7a3b508cf2e488aa
Source of Spectrum FV-13-0-0
Wiley ID 1174094