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Phthalic acid, 4-methoxybenzyl propyl ester

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

Phthalic acid, 4-methoxybenzyl propyl ester
SpectraBase Compound ID BZNNx7HGEIO
InChI InChI=1S/C19H20O5/c1-3-12-23-18(20)16-6-4-5-7-17(16)19(21)24-13-14-8-10-15(22-2)11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKey IZMHGNQSQJVLIP-UHFFFAOYSA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6k5Zy8DMjd4
Name Phthalic acid, 4-methoxybenzyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.131073739 u
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-3-12-23-18(20)16-6-4-5-7-17(16)19(21)24-13-14-8-10-15(22-2)11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKey IZMHGNQSQJVLIP-UHFFFAOYSA-N
Molecular Weight 328.364 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCC1=CC=C(OC)C=C1)C(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808431