| SpectraBase Spectrum ID |
5OoB93z277B |
| Name |
.beta.-Chenopodiol-6-acetate |
| Alternate Name(s) |
Chenopodiol-6-acetate<.beta.-> |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H28O3 |
| 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/C17H28O3/c1-11-7-6-9-17(5)10-8-13(16(3,4)19)15(14(11)17)20-12(2)18/h13-15,19H,1,6-10H2,2-5H3/t13-,14-,15+,17-/m1/s1 |
| InChIKey |
QIVOSAOEZNYGQW-PNBKFKSVSA-N |
| Molecular Weight |
280.408 g/mol |
| SMILES |
OC([C@]1([C@](OC(C)=O)([C@]2(C(CCC[C@@]2(CC1)C)=C)[H])[H])[H])(C)C |
| SPLASH |
splash10-052f-9600000000-34e5c6ba5eabaa6044ad |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1886087 |
