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Diglycolic acid, butyl phenethyl ester

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

Diglycolic acid, butyl phenethyl ester
SpectraBase Compound ID IwKouAw4SyM
InChI InChI=1S/C16H22O5/c1-2-3-10-20-15(17)12-19-13-16(18)21-11-9-14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKey ZMILPUKNOFZMGN-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DdqGmjmXWxx
Name Diglycolic acid, butyl phenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.146723803 u
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-2-3-10-20-15(17)12-19-13-16(18)21-11-9-14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKey ZMILPUKNOFZMGN-UHFFFAOYSA-N
Molecular Weight 294.347 g/mol
SMILES C(COCC(=O)OCCCC)(=O)OCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940417