| SpectraBase Spectrum ID |
FVc35Puj87q |
| Name |
Octanone<2-> |
| CAS Registry Number |
111-13-7 |
| 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 |
128.120115134 u |
| Formula |
C8H16O |
| 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/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 |
| InChIKey |
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| Nominal Mass |
128 u |
| Number of Peaks |
78 |
| SMILES |
CC(CCCCCC)=O |
| SPLASH |
splash10-052f-9000000000-15cc3693d8f1f710fded |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001975 |
