| SpectraBase Spectrum ID |
5go7HIPt1HZ |
| Name |
Rotundene |
| CAS Registry Number |
65128-08-7 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
204.187800773 u |
| Formula |
C15H24 |
| 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/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h9-10,12-14H,4-8H2,1-3H3/t10-,12+,13+,14-,15+/m0/s1 |
| InChIKey |
XAAMMPKFMNZIIC-INMIOYRUSA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
83 |
| SMILES |
[C@]1(CC[C@]2([C@@]1(C[C@@]1(C(=C[C@]2(CC1)C)C)[H])[H])[H])(C)[H] |
| SPLASH |
splash10-0a4l-6900000000-da165283022d698cb742 |
| Source |
ex CYPERUS MACULATUS ROOT ex BESSIERE |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001200 |
