| SpectraBase Spectrum ID |
1J54106EgHn |
| Name |
Jensenone |
| CAS Registry Number |
96573-43-2 |
| 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 |
266.079038165 u |
| Formula |
C13H14O6 |
| 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/C13H14O6/c1-2-3-4-9(16)10-12(18)7(5-14)11(17)8(6-15)13(10)19/h5-6,17-19H,2-4H2,1H3 |
| InChIKey |
LIETUPMSTXISQJ-UHFFFAOYSA-N |
| Molecular Weight |
266.249 g/mol |
| Nominal Mass |
266 u |
| Number of Peaks |
169 |
| SMILES |
Oc1c(c(c(c(c1C(CCCC)=O)O)C=O)O)C=O |
| SPLASH |
splash10-0aor-6590000000-2acc97cd96c49e2d629c |
| Source |
ex J BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000811 |
