| SpectraBase Compound ID | UEjGe4jeuC |
|---|---|
| InChI | InChI=1S/C8H11Br/c1-2-3-4-5-6-7-8-9/h7-8H,2-4H2,1H3/b8-7+ |
| InChIKey | PSWNDMJUBASJAG-BQYQJAHWSA-N |
| Mol Weight | 187.08 g/mol |
| Molecular Formula | C8H11Br |
| Exact Mass | 186.004413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QWp8HKEh7O |
|---|---|
| Name | 1-Octen-3-yne, 1-bromo-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.004413354 u |
| Formula | C8H11Br |
| InChI | InChI=1S/C8H11Br/c1-2-3-4-5-6-7-8-9/h7-8H,2-4H2,1H3/b8-7+ |
| InChIKey | PSWNDMJUBASJAG-BQYQJAHWSA-N |
| Molecular Weight | 187.080 g/mol |
| SMILES | CCCCC#C\C=C\Br |