| SpectraBase Spectrum ID |
3qvTz9UlgKe |
| Name |
Baeckeol |
| CAS Registry Number |
479-88-9 |
| 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 |
238.120509056 u |
| Formula |
C13H18O4 |
| 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/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 |
| Nominal Mass |
238 u |
| Number of Peaks |
167 |
| 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 |
RA000125 |
