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Glutaric acid, butyl 2-methylbutyl ester

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Glutaric acid, butyl 2-methylbutyl ester
SpectraBase Compound ID 7QOKgePJawK
InChI InChI=1S/C14H26O4/c1-4-6-10-17-13(15)8-7-9-14(16)18-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey CZCMHFDFVIVWAD-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 5zzreAO75bu
Name Glutaric acid, butyl 2-methylbutyl 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/c1-4-6-10-17-13(15)8-7-9-14(16)18-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey CZCMHFDFVIVWAD-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES CCCCOC(CCCC(OCC(CC)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808061