| SpectraBase Spectrum ID |
9xPqbcuJPWe |
| Name |
.alpha.-Santonine |
| CAS Registry Number |
481-06-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O3 |
| 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/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13?,15-/m0/s1 |
| InChIKey |
XJHDMGJURBVLLE-FDAGQKODSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
[C@@]12(C)C(C3[C@@](CC2)([C@](C)(C(O3)=O)[H])[H])=C(C)C(C=C1)=O |
| SPLASH |
splash10-006x-8910000000-05e686be86eded20a5d6 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Santonine<.alpha.-> |
| Wiley ID |
1886991 |
