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2-Methyl-4-oxo-4-phenylbutyric acid

View entire compound with spectra: 2 NMR, 3 FTIR, and 2 MS (GC)

2-Methyl-4-oxo-4-phenylbutyric acid
SpectraBase Compound ID 7ZyyeYLCsUl
InChI InChI=1S/C11H12O3/c1-8(11(13)14)7-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)
InChIKey ICXWGAZLLKCSAT-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 FdOJjcZCYTT
Name 2-Methyl-4-oxo-4-phenylbutyric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 392294
CAS Registry Number 1771-65-9
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/c1-8(11(13)14)7-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)
InChIKey ICXWGAZLLKCSAT-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008612