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2-(1-Hydroxyethyl)-3-phenylheptanoic acid
SpectraBase Compound ID AkKl0FjqvLk
InChI InChI=1S/C15H22O3/c1-3-4-10-13(12-8-6-5-7-9-12)14(11(2)16)15(17)18/h5-9,11,13-14,16H,3-4,10H2,1-2H3,(H,17,18)
InChIKey XZAPZQQCWNOOJJ-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jNkGfvHliE
Name 2-(1-Hydroxyethyl)-3-phenylheptanoic acid
CAS Registry Number 129287-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-3-4-10-13(12-8-6-5-7-9-12)14(11(2)16)15(17)18/h5-9,11,13-14,16H,3-4,10H2,1-2H3,(H,17,18)
InChIKey XZAPZQQCWNOOJJ-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES OC(C(C(=O)O)C(c1ccccc1)CCCC)C
SPLASH splash10-0007-6900000000-bdd77017ed9d547efcac
Source of Spectrum K-123-2426-44
Synonyms 2-(1-hydroxyethyl)-3-phenyl-enanthic acid 3-Hydroxybutanoic acid, 2-(.alpha.-butylbenzyl)-
Wiley ID 1253668