| SpectraBase Spectrum ID |
gWD8KJ3rs |
| Name |
Hexyl octanoate |
| CAS Registry Number |
1117-55-1 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
228.208930140 u |
| Formula |
C14H28O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm 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 |
| Nominal Mass |
228 u |
| Number of Peaks |
90 |
| 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 |
RA001749 |
