| SpectraBase Spectrum ID |
1IEP3RkY50m |
| Name |
Octanol acetate<3-> |
| CAS Registry Number |
4864-61-3 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| 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/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3 |
| InChIKey |
STZUZYMKSMSTOU-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Nominal Mass |
172 u |
| Number of Peaks |
78 |
| SMILES |
CCC(OC(C)=O)CCCCC |
| SPLASH |
splash10-0006-9100000000-adf416a54a194d73c5ec |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001973 |
