| SpectraBase Spectrum ID |
55qOKbw9gbw |
| Name |
Sabina ketone |
| CAS Registry Number |
513-20-2 |
| 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 |
138.104465070 u |
| Formula |
C9H14O |
| 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/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3 |
| InChIKey |
MDDYCNAAAZKNAJ-UHFFFAOYSA-N |
| Molecular Weight |
138.210 g/mol |
| Nominal Mass |
138 u |
| Number of Peaks |
71 |
| SMILES |
CC(C)C12C(C(=O)CC2)C1 |
| SPLASH |
splash10-05ng-9000000000-14448f95dad6d2ba8f1b |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002049 |
