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4-(4-Methoxyphenyl)-3-methyl-butyric acid ethyl ester

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

4-(4-Methoxyphenyl)-3-methyl-butyric acid ethyl ester
SpectraBase Compound ID 1tmpz7DDaKH
InChI InChI=1S/C14H20O3/c1-4-17-14(15)10-11(2)9-12-5-7-13(16-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKey RWNIBBSFGGCIQK-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3SQMYbVxDjR
Name 4-(4-Methoxyphenyl)-3-methyl-butyric acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-4-17-14(15)10-11(2)9-12-5-7-13(16-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKey RWNIBBSFGGCIQK-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES C(CC(CC=1C=CC(=CC1)OC)C)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890954