| SpectraBase Spectrum ID |
IQPiO43nYr6 |
| Name |
Atractylone |
| CAS Registry Number |
6989-21-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O |
| 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/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1 |
| InChIKey |
TYPSVDGIQAOBAD-DZGCQCFKSA-N |
| Molecular Weight |
216.324 g/mol |
| SMILES |
c12occ(c2C[C@@]2([C@@](C1)(CCCC2=C)C)[H])C |
| SPLASH |
splash10-0a4l-6920000000-748dea049872b90b9a1d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1885885 |
