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Glutaric acid, ethyl 4-methylbenzyl ester

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Glutaric acid, ethyl 4-methylbenzyl ester
SpectraBase Compound ID IeiCG81RNwL
InChI InChI=1S/C15H20O4/c1-3-18-14(16)5-4-6-15(17)19-11-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChIKey UNNCBHROFJPVJY-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 I7NjOmJJCU
Name Glutaric acid, ethyl 4-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)5-4-6-15(17)19-11-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChIKey UNNCBHROFJPVJY-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948185