| SpectraBase Spectrum ID |
CSHd99lmtZY |
| Name |
Liguloxide |
| CAS Registry Number |
21764-22-7 |
| 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/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13+,15?/m0/s1 |
| InChIKey |
GXMJXGUEPXEOGR-SUMILCEPSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
140 |
| SMILES |
[C@@]12(C3([C@@](CC2)(C)[H])OC([C@](CC[C@@]1(C)[H])(C3)[H])(C)C)[H] |
| SPLASH |
splash10-0a4l-9410000000-c89d53c0741e40aac1b7 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000842 |
