| SpectraBase Spectrum ID |
HeZU0nqspeV |
| Name |
Santonine |
| CAS Registry Number |
481-06-1 |
| 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 |
246.125594437 u |
| Formula |
C15H18O3 |
| 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/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 |
| Nominal Mass |
246 u |
| Number of Peaks |
127 |
| 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 |
| Wiley ID |
RA001230 |
