| SpectraBase Spectrum ID |
7LTW9hthbyj |
| Name |
Selina-1,3,7(11)-trien-8-one |
| CAS Registry Number |
179914-19-3 |
| 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 |
216.151415263 u |
| Formula |
C15H20O |
| 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/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-7,13H,8-9H2,1-4H3/t13-,15+/m0/s1 |
| InChIKey |
DVGWOFUZNUYQPS-DZGCQCFKSA-N |
| Molecular Weight |
216.324 g/mol |
| Nominal Mass |
216 u |
| Number of Peaks |
164 |
| SMILES |
C=1C=C[C@]2([C@](C1C)(CC(C(C2)=O)=C(C)C)[H])C |
| SPLASH |
splash10-07vl-9600000000-7621e7aa2fe124876a56 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001237 |
