| SpectraBase Compound ID | 2QUMynMBemG |
|---|---|
| InChI | InChI=1S/C13H17Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-13H,2-5H2,1H3/b9-8+,11-10+,13-12+ |
| InChIKey | XQHCIOQJUWFOML-GTEMLCSVSA-N |
| Mol Weight | 253.18 g/mol |
| Molecular Formula | C13H17Br |
| Exact Mass | 252.051364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tDz1hGb0d2 |
|---|---|
| Name | 1-Bromotrideca-1,3,5-trien-7-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.051363547 u |
| Formula | C13H17Br |
| InChI | InChI=1S/C13H17Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-13H,2-5H2,1H3/b9-8+,11-10+,13-12+ |
| InChIKey | XQHCIOQJUWFOML-GTEMLCSVSA-N |
| Molecular Weight | 253.183 g/mol |
| SMILES | C(#CCCCCC)\C=C\C=C\C=C\Br |