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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 EUIh05ZSHvU
Name Hexyl octanoate
CAS Registry Number 1117-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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 CCCCCCCC(OCCCCCC)=O
SPLASH splash10-052f-9200000000-2fcea4cc9516bd077647
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887510