| SpectraBase Spectrum ID |
41Zz0IkQT67 |
| Name |
2-Octanone |
| CAS Registry Number |
111-13-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H16O |
| 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/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 |
| InChIKey |
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| SMILES |
CC(CCCCCC)=O |
| SPLASH |
splash10-052f-9000000000-15cc3693d8f1f710fded |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Octanone<2-> |
| Wiley ID |
1887736 |
