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Diethylmalonic acid, ethyl 5-methyl-2-methoxyphenyl ester

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

Diethylmalonic acid, ethyl 5-methyl-2-methoxyphenyl ester
SpectraBase Compound ID 8oRP5q1a0W5
InChI InChI=1S/C17H24O5/c1-6-17(7-2,15(18)21-8-3)16(19)22-14-11-12(4)9-10-13(14)20-5/h9-11H,6-8H2,1-5H3
InChIKey IBEKEZFZQDUJPW-UHFFFAOYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CwGRq1KxYyp
Name Diethylmalonic acid, ethyl 5-methyl-2-methoxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.162373868 u
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-6-17(7-2,15(18)21-8-3)16(19)22-14-11-12(4)9-10-13(14)20-5/h9-11H,6-8H2,1-5H3
InChIKey IBEKEZFZQDUJPW-UHFFFAOYSA-N
SMILES C(C(C(OCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915448