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Octanoic acid, hexyl ester

View entire compound with spectra: 3 NMR, 3 FTIR, and 9 MS (GC)

Octanoic acid, hexyl ester
SpectraBase Compound ID 9GpNIdFPg68
InChI InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
InChIKey PBGWNXWNCSSXCO-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KgtyM8yCZfU
Name Hexyl octanoate
Source of Sample Aldrich
Catalog Number W257508
CAS Registry Number 1117-55-1
Classification Non-aromatic esters and lactones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
InChIKey PBGWNXWNCSSXCO-UHFFFAOYSA-N
Purity >=97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_11107