| SpectraBase Spectrum ID |
1q9pCBzKsK |
| Name |
Tagetone |
| CAS Registry Number |
3588-18-9 |
| 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 |
152.120115134 u |
| Formula |
C10H16O |
| 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/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7- |
| InChIKey |
RJXKHBTYHGBOKV-CLFYSBASSA-N |
| Molecular Weight |
152.237 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
82 |
| SMILES |
CC(C)CC(=O)\C=C/(C=C)C |
| SPLASH |
splash10-00kb-9200000000-c66dd6083da5bbd25721 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002066 |
