| SpectraBase Spectrum ID |
3qCgxL5qG8 |
| Name |
Tagetone |
| CAS Registry Number |
1879-00-1 |
| 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 |
154.135765199 u |
| Formula |
C10H18O |
| 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/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3 |
| InChIKey |
VUSBHGLIAQXBSW-UHFFFAOYSA-N |
| Molecular Weight |
154.253 g/mol |
| Nominal Mass |
154 u |
| Number of Peaks |
96 |
| SMILES |
CC(C)CC(=O)CC(C=C)C |
| SPLASH |
splash10-0a4u-9000000000-6d7527aa5610aa21ff40 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002064 |
