| SpectraBase Spectrum ID |
401pTWlWt6 |
| Name |
Cyclocolorenone |
| CAS Registry Number |
489-45-2 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| 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/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1 |
| InChIKey |
ZEEUIOBUKGZKPS-IDTAVKCVSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
160 |
| SMILES |
C=12[C@@]([C@@](CC[C@@]3([C@]2(C3(C)C)[H])[H])(C)[H])(CC(C1C)=O)[H] |
| SPLASH |
splash10-05ox-8910000000-7743456e3ae8bf26f359 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000421 |
