For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Adipic acid, 2,4-dimethylpent-3-yl isobutyl ester

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

Adipic acid, 2,4-dimethylpent-3-yl isobutyl ester
SpectraBase Compound ID 43MOoSOQgKI
InChI InChI=1S/C17H32O4/c1-12(2)11-20-15(18)9-7-8-10-16(19)21-17(13(3)4)14(5)6/h12-14,17H,7-11H2,1-6H3
InChIKey SRIUMBSREVUAGZ-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BL6lkluryA2
Name Adipic acid, 2,4-dimethylpent-3-yl isobutyl 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/c1-12(2)11-20-15(18)9-7-8-10-16(19)21-17(13(3)4)14(5)6/h12-14,17H,7-11H2,1-6H3
InChIKey SRIUMBSREVUAGZ-UHFFFAOYSA-N
SMILES C(OC(C(C)C)C(C)C)(CCCCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955884