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Diglycolic acid, butyl 3-methylbutyl ester

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

Diglycolic acid, butyl 3-methylbutyl ester
SpectraBase Compound ID JZd12aDIapT
InChI InChI=1S/C13H24O5/c1-4-5-7-17-12(14)9-16-10-13(15)18-8-6-11(2)3/h11H,4-10H2,1-3H3
InChIKey QWRGQEXIWNFDBS-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 HAvFTMJybEn
Name Diglycolic acid, butyl 3-methylbutyl 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/c1-4-5-7-17-12(14)9-16-10-13(15)18-8-6-11(2)3/h11H,4-10H2,1-3H3
InChIKey QWRGQEXIWNFDBS-UHFFFAOYSA-N
Molecular Weight 260.330 g/mol
SMILES C(COCC(=O)OCCCC)(=O)OCCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873425