| SpectraBase Compound ID | 3nYxbjHzrFD |
|---|---|
| InChI | InChI=1S/C12H17BrO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2-4,6,8,10H,5,7,9,11H2,1H3/b3-2+,6-4+,10-8+ |
| InChIKey | HNTCPPISDMWFIQ-OWNYCIOKSA-N |
| Mol Weight | 273.17 g/mol |
| Molecular Formula | C12H17BrO2 |
| Exact Mass | 272.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87wCnCXJPO4 |
|---|---|
| Name | 10-Bromodeca-5,7,9-trienyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.041192785 u |
| Formula | C12H17BrO2 |
| InChI | InChI=1S/C12H17BrO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2-4,6,8,10H,5,7,9,11H2,1H3/b3-2+,6-4+,10-8+ |
| InChIKey | HNTCPPISDMWFIQ-OWNYCIOKSA-N |
| Molecular Weight | 273.170 g/mol |
| SMILES | C(=O)(OCCCC\C=C\C=C\C=C\Br)C |