| SpectraBase Spectrum ID |
BR7HWndn2GM |
| Name |
3-Octanone |
| CAS Registry Number |
106-68-3 |
| 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/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 |
| InChIKey |
RHLVCLIPMVJYKS-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| SMILES |
CCC(CCCCC)=O |
| SPLASH |
splash10-0596-9000000000-dafe0b73d5d7418cfa52 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Octanone<3-> |
| Wiley ID |
1887737 |
