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Benzenebutanoic acid, .alpha.-hydroxy-
SpectraBase Compound ID 4CWfJAYgqvt
InChI InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChIKey JNJCEALGCZSIGB-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrylVfHVZms
Name Benzenebutanoic acid, .alpha.-hydroxy-
Alternate Name(s) 2-Hydroxy-4-phenylbutanoic acid (R)-2-hydroxy-4-phenylbutyric acid 2-HPBA 2-Hydroxy-4-phenyl-butyric acid 2-Hydroxy-4-phenylbutanoate 2-Hydroxy-4-phenylbutyrate 2-Oxidanyl-4-phenyl-butanoic acid
CAS Registry Number 4263-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChIKey JNJCEALGCZSIGB-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES OC(C(=O)O)CCc1ccccc1
SPLASH splash10-054o-9500000000-4e8270c837e2813029d2
Wiley ID 1489929