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Nonanoic acid, 4-methoxy-2-methylbutyl ester

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

Nonanoic acid, 4-methoxy-2-methylbutyl ester
SpectraBase Compound ID AkQ4f7TTiE1
InChI InChI=1S/C15H30O3/c1-4-5-6-7-8-9-10-15(16)18-13-14(2)11-12-17-3/h14H,4-13H2,1-3H3
InChIKey VOBXHCAGLYWYDA-UHFFFAOYSA-N
Mol Weight 258.4 g/mol
Molecular Formula C15H30O3
Exact Mass 258.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9W3cEnPtUgX
Name Nonanoic acid, 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 258.219494823 u
Formula C15H30O3
InChI InChI=1S/C15H30O3/c1-4-5-6-7-8-9-10-15(16)18-13-14(2)11-12-17-3/h14H,4-13H2,1-3H3
InChIKey VOBXHCAGLYWYDA-UHFFFAOYSA-N
Molecular Weight 258.402 g/mol
SMILES COCCC(COC(CCCCCCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985083