| SpectraBase Compound ID | FoSrgOX6NvW |
|---|---|
| InChI | InChI=1S/C15H19Br2ClO2/c1-10-4-2-6-12(17)14-9-13(18)15(20-14)8-11(19-10)5-3-7-16/h2,4-5,7,10-15H,6,8-9H2,1H3/b4-2+/t3?,10-,11-,12-,13+,14-,15+/m0/s1 |
| InChIKey | OHWBWBOWCXAQRI-DXYZULMISA-N |
| Mol Weight | 426.58 g/mol |
| Molecular Formula | C15H19Br2ClO2 |
| Exact Mass | 423.944034 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6CSS3q9VvID |
|---|---|
| Name | Dactylallene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H19Br2ClO2 |
| InChI | InChI=1S/C15H19Br2ClO2/c1-10-4-2-6-12(17)14-9-13(18)15(20-14)8-11(19-10)5-3-7-16/h2,4-5,7,10-15H,6,8-9H2,1H3/b4-2+/t3?,10-,11-,12-,13+,14-,15+/m0/s1 |
| InChIKey | OHWBWBOWCXAQRI-DXYZULMISA-N |
| Molecular Weight | 426.576 g/mol |
| SMILES | [C@]12(O[C@@](C[C@]2(Cl)[H])([C@@](Br)(C\C=C\[C@@](O[C@](C1)(C(=[C@]=C(Br)[H])[H])[H])(C)[H])[H])[H])[H] |
| SPLASH | splash10-0059-6795000000-e604c2067ce623edeb90 |
| Source of Spectrum | F-53-17349-1 |
| Synonyms | Obtusallene IV (1R,3R,5S,9S,10S,12R)-9-bromo-3-(3-bromo-1,2-propadienyl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene (1R,3R,5S,6E,9S,10S,12R)-9-bromanyl-3-(3-bromanylpropa-1,2-dienyl)-12-chloranyl-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene (1R,3R,5S,6E,9S,10S,12R)-9-bromo-3-(3-bromopropa-1,2-dienyl)-12-chloro-5-methyl-4,13-dioxabicyclo[8.2.1]tridec-6-ene |
| Wiley ID | 804883 |