| SpectraBase Spectrum ID |
6K42bNqd6r2 |
| Name |
Elsholtzia ketone |
| CAS Registry Number |
6138-88-1 |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| 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/C10H12O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-6H,1-3H3 |
| InChIKey |
XWFVDCOWPBJQFH-UHFFFAOYSA-N |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Number of Peaks |
117 |
| SMILES |
c1cc(C)c(o1)C(C=C(C)C)=O |
| SPLASH |
splash10-06y7-8900000000-48cb55de81a768221a06 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001581 |
