| SpectraBase Compound ID | FvUN9ANDnN |
|---|---|
| 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-MVHNAPEUSA-N |
| Mol Weight | 331.68 g/mol |
| Molecular Formula | C15H20BrClO |
| Exact Mass | 330.038606 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BfwrbtcR4ha |
|---|---|
| Name | 12-epi-Obtusenyne |
| CAS Registry Number | 79433-82-2 |
| 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-MVHNAPEUSA-N |
| Molecular Weight | 331.681 g/mol |
| SMILES | [C@@]1(O[C@]([C@@](C\C=C/C[C@@]1(Cl)[H])(Br)[H])(CC)[H])(C\C=C\C#C)[H] |
| SPLASH | splash10-0693-9500000000-beddb291736657a59793 |
| Source of Spectrum | J-46-5195-0 |
| Synonyms | (2S,3R,8S,9S)-3-bromo-8-chloro-2-ethyl-9-[(2E)-2-penten-4-ynyl]-2,3,4,7,8,9-hexahydrooxonin (2S,3R,5Z,8S,9S)-3-bromo-8-chloro-2-ethyl-9-[(E)-pent-2-en-4-ynyl]-2,3,4,7,8,9-hexahydrooxonine (2S,3R,5Z,8S,9S)-3-bromanyl-8-chloranyl-2-ethyl-9-[(E)-pent-2-en-4-ynyl]-2,3,4,7,8,9-hexahydrooxonine |
| Wiley ID | 1327536 |