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Ethyl 3-oxo-2-(2-phenylethyl)butanoate

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

Ethyl 3-oxo-2-(2-phenylethyl)butanoate
SpectraBase Compound ID 2bml8Fit7QX
InChI InChI=1S/C14H18O3/c1-3-17-14(16)13(11(2)15)10-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChIKey GPRDAMCHHGGJNX-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 LNODajXFuD2
Name Ethyl 3-oxo-2-(2-phenylethyl)butanoate
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/c1-3-17-14(16)13(11(2)15)10-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChIKey GPRDAMCHHGGJNX-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(C(C(C)=O)C(OCC)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901703