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2-oxo-4-phenylbutanoic acid
SpectraBase Compound ID IYj10lcDuV4
InChI InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey PPKAIMDMNWBOKN-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32eSovhD0zP
Name 2-oxo-4-phenylbutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey PPKAIMDMNWBOKN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207077
Molecular Weight 178.187 g/mol
Quality 147
SMILES OC(C(CCC=1C=CC=CC1)=O)=O
SPLASH splash10-004i-0900000000-73bab64aef6b0931ac25
Source of Spectrum ACI-61-SM15-2, OPBA (DOI: 10.1002/anie.202207077)
Wiley ID 1899426