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Glutaric acid, ethyl 3-phenoxybenzyl ester
SpectraBase Compound ID IyPJuMNsMS6
InChI InChI=1S/C20H22O5/c1-2-23-19(21)12-7-13-20(22)24-15-16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-6,8-11,14H,2,7,12-13,15H2,1H3
InChIKey GVTPFKPAQCHDOP-UHFFFAOYSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AIn2HkQkqSm
Name Glutaric acid, ethyl 3-phenoxybenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.146723803 u
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-2-23-19(21)12-7-13-20(22)24-15-16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-6,8-11,14H,2,7,12-13,15H2,1H3
InChIKey GVTPFKPAQCHDOP-UHFFFAOYSA-N
Molecular Weight 342.391 g/mol
SMILES C(OCC1=CC(=CC=C1)OC1=CC=CC=C1)(=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938786