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4-Benzoylbutyric acid

View entire compound with spectra: 5 NMR, 6 FTIR, 3 Raman, and 9 MS (GC)

4-Benzoylbutyric acid
SpectraBase Compound ID 3MHo3OTt0uY
InChI InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKey SHKWSBAVRQZYLE-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BKWQxBopeFd
Name 5-Oxo-5-phenylvaleric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B12687
CAS Registry Number 1501-05-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKey SHKWSBAVRQZYLE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 96%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Benzoylbutyric acid
Wiley ID SIAL_13CNMR_010814