| SpectraBase Spectrum ID |
3H7VJtrKm0n |
| Name |
Baeckeol |
| CAS Registry Number |
479-88-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O4 |
| 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/C13H18O4/c1-7(2)12(14)11-10(17-5)6-9(16-4)8(3)13(11)15/h6-7,15H,1-5H3 |
| InChIKey |
FEPANGQIGHBDFZ-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| SMILES |
Oc1c(C)c(OC)cc(OC)c1C(=O)C(C)C |
| SPLASH |
splash10-0002-2900000000-b95c571314c5da97a9fa |
| Source |
ex MELALEUCA CUTICULARIS ex JJ BROHPY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1885886 |
