| SpectraBase Spectrum ID |
546qgoRg8CR |
| Name |
(3E)-12-Epiobtusenyne |
| Alternate Name(s) |
(3R,8S,9S)-3-bromo-8-chloro-2-ethyl-9-[(2E)-2-penten-4-ynyl]-2,3,4,7,8,9-hexahydrooxonin |
| CAS Registry Number |
79433-81-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20BrClO |
| InChI |
InChI=1S/C15H20BrClO/c1-3-5-6-11-15-13(17)10-8-7-9-12(16)14(4-2)18-15/h1,5-8,12-15H,4,9-11H2,2H3/b6-5+,8-7-/t12-,13+,14?,15+/m1/s1 |
| InChIKey |
XNLVYZURWKMAIT-CDUBVSRMSA-N |
| Molecular Weight |
331.681 g/mol |
| SMILES |
[C@@]1(OC([C@@](C\C=C/C[C@@]1(Cl)[H])(Br)[H])CC)(C\C=C\C#C)[H] |
| SPLASH |
splash10-0693-9600000000-765d1affc01987c11dc0 |
| Source of Spectrum |
J-46-5195-0 |
| Wiley ID |
1327535 |
