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Glutaric acid, 4,4-dimethylpent-2-yl ethyl ester

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

Glutaric acid, 4,4-dimethylpent-2-yl ethyl ester
SpectraBase Compound ID JIBTM3WpBns
InChI InChI=1S/C14H26O4/c1-6-17-12(15)8-7-9-13(16)18-11(2)10-14(3,4)5/h11H,6-10H2,1-5H3
InChIKey PAQIKLKUPUKKPE-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2UeogUtWalk
Name Glutaric acid, 4,4-dimethylpent-2-yl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.183109313 u
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-6-17-12(15)8-7-9-13(16)18-11(2)10-14(3,4)5/h11H,6-10H2,1-5H3
InChIKey PAQIKLKUPUKKPE-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(OC(CC(C)(C)C)C)(=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928206