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3-Benzoylpropionic acid

View entire compound with spectra: 6 NMR, 5 FTIR, 2 Raman, and 14 MS (GC)

3-Benzoylpropionic acid
SpectraBase Compound ID BmbQw8aYyZZ
InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey KMQLIDDEQAJAGJ-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YTraaqclTt
Name 3-Benzoylpropionic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B13802
CAS Registry Number 2051-95-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey KMQLIDDEQAJAGJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Oxo-4-phenylbutyric acid
Wiley ID SIAL_13CNMR_010818