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Diglycolic acid, pentyl phenethyl ester

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

Diglycolic acid, pentyl phenethyl ester
SpectraBase Compound ID I4HJ31XkSrb
InChI InChI=1S/C17H24O5/c1-2-3-7-11-21-16(18)13-20-14-17(19)22-12-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3
InChIKey LTEHSTQGVBWSAM-UHFFFAOYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ERnvfuzHXcd
Name Diglycolic acid, pentyl phenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.162373868 u
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-2-3-7-11-21-16(18)13-20-14-17(19)22-12-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3
InChIKey LTEHSTQGVBWSAM-UHFFFAOYSA-N
SMILES C(COCC(=O)OCCCCC)(=O)OCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899372