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Diglycolic acid, di(phenethyl) ester

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

Diglycolic acid, di(phenethyl) ester
SpectraBase Compound ID 2C2xJUiC7y1
InChI InChI=1S/C20H22O5/c21-19(24-13-11-17-7-3-1-4-8-17)15-23-16-20(22)25-14-12-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey FWZJIESNNCLMAL-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 Gt9VHSTdjZE
Name Diglycolic acid, di(phenethyl) 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/c21-19(24-13-11-17-7-3-1-4-8-17)15-23-16-20(22)25-14-12-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey FWZJIESNNCLMAL-UHFFFAOYSA-N
Molecular Weight 342.391 g/mol
SMILES C(COCC(=O)OCCC1=CC=CC=C1)(=O)OCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962291