| SpectraBase Spectrum ID |
BEALATtvJBu |
| Name |
Liguloxide |
| CAS Registry Number |
21764-22-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H26O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| 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 |
1886603 |
