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Adipic acid, isobutyl 4-methoxy-2-methylbutyl ester

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

Adipic acid, isobutyl 4-methoxy-2-methylbutyl ester
SpectraBase Compound ID KAMzLHxPfdT
InChI InChI=1S/C16H30O5/c1-13(2)11-20-15(17)7-5-6-8-16(18)21-12-14(3)9-10-19-4/h13-14H,5-12H2,1-4H3
InChIKey SZHIIRQOAZHNFM-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C16H30O5
Exact Mass 302.209324 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3Fi1d3yyaCq
Name Adipic acid, isobutyl 4-methoxy-2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.209324061 u
Formula C16H30O5
InChI InChI=1S/C16H30O5/c1-13(2)11-20-15(17)7-5-6-8-16(18)21-12-14(3)9-10-19-4/h13-14H,5-12H2,1-4H3
InChIKey SZHIIRQOAZHNFM-UHFFFAOYSA-N
SMILES C(C(=O)OCC(CCOC)C)CCCC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974297