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Adipic acid, 2-methylbutyl propyl ester

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

Adipic acid, 2-methylbutyl propyl ester
SpectraBase Compound ID 3YbxgDzeiV
InChI InChI=1S/C14H26O4/c1-4-10-17-13(15)8-6-7-9-14(16)18-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey NCMMRYINJUFWJB-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 6MO8DorFVYA
Name Adipic acid, 2-methylbutyl propyl 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/c1-4-10-17-13(15)8-6-7-9-14(16)18-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey NCMMRYINJUFWJB-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(=O)(CCCCC(OCCC)=O)OCC(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969475