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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RjHMkdxRCs
Name Hexyl octanoate
Alternate Name(s) caprylic acid hexyl ester Hexyl caprylate Hexyl octylate n-Hexyl caprylate Octanoic acid hexyl ester AI3-33727 BRN 1769635 EINECS 214-247-9 FEMA NO. 2575
CAS Registry Number 1117-55-1
Copyright Copyright © 2020-2024 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
Molecular Weight 228.376 g/mol
SMILES C(=O)(CCCCCCC)OCCCCCC
SPLASH splash10-054o-9000000000-c614d99b0bed0e447312
Wiley ID 1492699