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2-(3-Benzoylphenyl)propanoic acid ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(3-Benzoylphenyl)propanoic acid ethyl ester
SpectraBase Compound ID 3ioP87u1mzi
InChI InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
InChIKey CQSMNXCTDMLMLM-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9rM2DSd8j9P
Name 2-(3-Benzoylphenyl)propanoic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.125594437 u
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
InChIKey CQSMNXCTDMLMLM-UHFFFAOYSA-N
SMILES C(C=1C=C(C(C(=O)OCC)C)C=CC1)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88423