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Adipic acid, isobutyl 2-propyl ester

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

Adipic acid, isobutyl 2-propyl ester
SpectraBase Compound ID 7LTmJww8mar
InChI InChI=1S/C13H24O4/c1-10(2)9-16-12(14)7-5-6-8-13(15)17-11(3)4/h10-11H,5-9H2,1-4H3
InChIKey ZAGAUYIVECIZJZ-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 58xLZri1YjF
Name Adipic acid, isobutyl 2-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.167459249 u
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-10(2)9-16-12(14)7-5-6-8-13(15)17-11(3)4/h10-11H,5-9H2,1-4H3
InChIKey ZAGAUYIVECIZJZ-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(C(=O)OC(C)C)CCCC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868148