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Glutaric acid, ethyl 3-methylbenzyl ester

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

Glutaric acid, ethyl 3-methylbenzyl ester
SpectraBase Compound ID IXjhJDhB5GX
InChI InChI=1S/C15H20O4/c1-3-18-14(16)8-5-9-15(17)19-11-13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11H2,1-2H3
InChIKey XRVIJHSEJSSARH-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2ZSxSEA9M7l
Name Glutaric acid, ethyl 3-methylbenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-3-18-14(16)8-5-9-15(17)19-11-13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11H2,1-2H3
InChIKey XRVIJHSEJSSARH-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C(OCC1=CC(=CC=C1)C)(=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926478