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Diglycolic acid, 2-methylbutyl pentyl ester

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

Diglycolic acid, 2-methylbutyl pentyl ester
SpectraBase Compound ID AoRN2houB0A
InChI InChI=1S/C14H26O5/c1-4-6-7-8-18-13(15)10-17-11-14(16)19-9-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey BAYQKUUFYQZYQS-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C14H26O5
Exact Mass 274.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JymzT87eTHP
Name Diglycolic acid, 2-methylbutyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.178023932 u
Formula C14H26O5
InChI InChI=1S/C14H26O5/c1-4-6-7-8-18-13(15)10-17-11-14(16)19-9-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey BAYQKUUFYQZYQS-UHFFFAOYSA-N
Molecular Weight 274.357 g/mol
SMILES C(COCC(=O)OCCCCC)(=O)OCC(C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881363