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Phthalic acid, ethyl 4-methoxybenzyl ester

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

Phthalic acid, ethyl 4-methoxybenzyl ester
SpectraBase Compound ID 7mX4tNZXEP5
InChI InChI=1S/C18H18O5/c1-3-22-17(19)15-6-4-5-7-16(15)18(20)23-12-13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKey REHAXDFLNQCCOY-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J3hkuIvRAya
Name Phthalic acid, ethyl 4-methoxybenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.115423675 u
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-3-22-17(19)15-6-4-5-7-16(15)18(20)23-12-13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKey REHAXDFLNQCCOY-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCC)(OCC1=CC=C(OC)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83502