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3-Phenylpropionic acid, 2-methylphenyl ester

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

3-Phenylpropionic acid, 2-methylphenyl ester
SpectraBase Compound ID BjLLJ493cUp
InChI InChI=1S/C16H16O2/c1-13-7-5-6-10-15(13)18-16(17)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKey VELJMHOCLLDCRB-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LiHxkYAX6gl
Name 3-Phenylpropionic acid, 2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-13-7-5-6-10-15(13)18-16(17)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKey VELJMHOCLLDCRB-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C1=CC(=CC=C1)CCC(OC1=CC=CC=C1C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882647