| SpectraBase Spectrum ID |
ICSkZjCGXQZ |
| Name |
Chenopodiol-6-acetate |
| CAS Registry Number |
67996-34-3 |
| 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 |
280.203844759 u |
| Formula |
C17H28O3 |
| 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/C17H28O3/c1-11-7-6-9-17(5)10-8-13(16(3,4)19)15(14(11)17)20-12(2)18/h7,13-15,19H,6,8-10H2,1-5H3/t13-,14-,15+,17-/m1/s1 |
| InChIKey |
PIFGCYUFYJXQPT-PNBKFKSVSA-N |
| Molecular Weight |
280.408 g/mol |
| Nominal Mass |
280 u |
| Number of Peaks |
184 |
| SMILES |
CC(=O)O[C@]1([C@](C(C)(C)O)(CC[C@]2(CCC=C([C@]12[H])C)C)[H])[H] |
| SPLASH |
splash10-052f-9600000000-7dc78f4fb8ea8846ac81 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000325 |
