| SpectraBase Compound ID | Ca0uRy8NZJ2 |
|---|---|
| InChI | InChI=1S/C12H19Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-12H,2-6H2,1H3/b8-7+,10-9+,12-11+ |
| InChIKey | PQNAKEQDGYMVNS-SNUJAXHWSA-N |
| Mol Weight | 243.19 g/mol |
| Molecular Formula | C12H19Br |
| Exact Mass | 242.067014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpaxTfQB6J0 |
|---|---|
| Name | (1E,3E,5E)-1-Bromanyldodeca-1,3,5-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.067013612 u |
| Formula | C12H19Br |
| InChI | InChI=1S/C12H19Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-12H,2-6H2,1H3/b8-7+,10-9+,12-11+ |
| InChIKey | PQNAKEQDGYMVNS-SNUJAXHWSA-N |
| Molecular Weight | 243.188 g/mol |
| SMILES | C(\C=C\C=C\C=C\Br)CCCCC |