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4-Methoxybenzoic acid, 4-methylpentyl ester

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

4-Methoxybenzoic acid, 4-methylpentyl ester
SpectraBase Compound ID E9Z365nOvMc
InChI InChI=1S/C14H20O3/c1-11(2)5-4-10-17-14(15)12-6-8-13(16-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3
InChIKey LCLFFLCIGUCBMU-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 JHe8qFwEm9O
Name 4-Methoxybenzoic acid, 4-methylpentyl 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/c1-11(2)5-4-10-17-14(15)12-6-8-13(16-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3
InChIKey LCLFFLCIGUCBMU-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES C(OC(C=1C=CC(=CC1)OC)=O)CCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920305