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Glutaric acid, isobutyl 2,4,4-trimethylpentyl ester

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

Glutaric acid, isobutyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID r4qJkviY8u
InChI InChI=1S/C17H32O4/c1-13(2)11-20-15(18)8-7-9-16(19)21-12-14(3)10-17(4,5)6/h13-14H,7-12H2,1-6H3
InChIKey TUHXXMJXSHSSCN-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IfZfPQbb2mf
Name Glutaric acid, isobutyl 2,4,4-trimethylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.230059506 u
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-13(2)11-20-15(18)8-7-9-16(19)21-12-14(3)10-17(4,5)6/h13-14H,7-12H2,1-6H3
InChIKey TUHXXMJXSHSSCN-UHFFFAOYSA-N
SMILES C(OCC(CC(C)(C)C)C)(=O)CCCC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96758