| SpectraBase Spectrum ID |
4zOx23oTBz2 |
| Name |
Kessane |
| CAS Registry Number |
3321-66-2 |
| 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 |
222.198365456 u |
| Formula |
C15H26O |
| 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/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15+/m1/s1 |
| InChIKey |
QRVMFXFSGYDNJI-HVNMYJMUSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
127 |
| SMILES |
[C@@]12(OC([C@](C[C@]3([C@]2(CC[C@]3(C)[H])[H])[H])([H])CC1)(C)C)C |
| SPLASH |
splash10-0536-9400000000-927197ee44692d707bd6 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000817 |
