For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Diglycolic acid, butyl 2-pentyl ester

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

Diglycolic acid, butyl 2-pentyl ester
SpectraBase Compound ID Ev9D8V3GKWC
InChI InChI=1S/C13H24O5/c1-4-6-8-17-12(14)9-16-10-13(15)18-11(3)7-5-2/h11H,4-10H2,1-3H3
InChIKey WHCSCJWNRGYFNN-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C13H24O5
Exact Mass 260.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6xxpbjjk8Uu
Name Diglycolic acid, butyl 2-pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.162373868 u
Formula C13H24O5
InChI InChI=1S/C13H24O5/c1-4-6-8-17-12(14)9-16-10-13(15)18-11(3)7-5-2/h11H,4-10H2,1-3H3
InChIKey WHCSCJWNRGYFNN-UHFFFAOYSA-N
Molecular Weight 260.330 g/mol
SMILES C(COCC(=O)OCCCC)(=O)OC(C)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978671