| SpectraBase Spectrum ID |
KbC5w47utB |
| Name |
Octanol acetate |
| CAS Registry Number |
112-14-1 |
| 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 |
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/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 |
| InChIKey |
YLYBTZIQSIBWLI-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Nominal Mass |
172 u |
| Number of Peaks |
85 |
| SMILES |
C(CCCCCC)COC(C)=O |
| SPLASH |
splash10-0006-9000000000-ab47ee671cf73ab4be56 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001972 |
