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4-oxo-4-Phenylbutyric acid, isobutyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

4-oxo-4-Phenylbutyric acid, isobutyl ester
SpectraBase Compound ID DtXhPCuXXtW
InChI InChI=1S/C14H18O3/c1-11(2)10-17-14(16)9-8-13(15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey JDSNVPCDHHNIPF-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HRiKgJHoa6
Name 4-oxo-4-Phenylbutyric acid, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-11(2)10-17-14(16)9-8-13(15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey JDSNVPCDHHNIPF-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(C(OCC(C)C)=O)CC(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968927