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3-(4-Methoxyphenyl)propionic acid ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-(4-Methoxyphenyl)propionic acid ethyl ester
SpectraBase Compound ID 7C64hdB5CPf
InChI InChI=1S/C12H16O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-5,7-8H,3,6,9H2,1-2H3
InChIKey BDSDTKZBFYSNLI-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JuxhEkPO0S7
Name 3-(4-Methoxyphenyl)propionic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-5,7-8H,3,6,9H2,1-2H3
InChIKey BDSDTKZBFYSNLI-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES C1=C(C=CC(=C1)OC)CCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975091