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(S)-(+)-2-Phenylbutyric acid
SpectraBase Compound ID 1JvqXjAufIj
InChI InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m0/s1
InChIKey OFJWFSNDPCAWDK-VIFPVBQESA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KroOOpDxtO1
Name (S)-(+)-2-Phenylbutyric acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m0/s1
InChIKey OFJWFSNDPCAWDK-VIFPVBQESA-N
Molecular Weight 164.204 g/mol
SMILES OC([C@@](CC)(c1ccccc1)[H])=O
SPLASH splash10-0006-9200000000-befb72e3643b08cf3bba
Source of Spectrum QC-12-3309-2
Synonyms (2S)-2-phenylbutanoic acid (2S)-2-phenylbutyric acid
Wiley ID 1634921