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Diglycolic acid, 2-ethylbutyl propyl ester

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

Diglycolic acid, 2-ethylbutyl propyl ester
SpectraBase Compound ID 9PmWuL0Sc7O
InChI InChI=1S/C13H24O5/c1-4-7-17-12(14)9-16-10-13(15)18-8-11(5-2)6-3/h11H,4-10H2,1-3H3
InChIKey XQTRCBWCENFECV-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

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SpectraBase Spectrum ID y02q3a2aFm
Name Diglycolic acid, 2-ethylbutyl propyl 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/c1-4-7-17-12(14)9-16-10-13(15)18-8-11(5-2)6-3/h11H,4-10H2,1-3H3
InChIKey XQTRCBWCENFECV-UHFFFAOYSA-N
Molecular Weight 260.330 g/mol
SMILES C(COCC(=O)OCCC)(=O)OCC(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925779