| SpectraBase Compound ID | KR8SWbrUvrp |
|---|---|
| InChI | InChI=1S/C13H13Br/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-8,10-12H,9H2/b3-1+,5-2+,12-8+ |
| InChIKey | OUJBJCWJLAEZJY-XZSWUTCOSA-N |
| Mol Weight | 249.15 g/mol |
| Molecular Formula | C13H13Br |
| Exact Mass | 248.020063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FvOVCyz8o3N |
|---|---|
| Name | 1-Bromo-7-phenylhepta-1,3,5-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.020063419 u |
| Formula | C13H13Br |
| InChI | InChI=1S/C13H13Br/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-8,10-12H,9H2/b3-1+,5-2+,12-8+ |
| InChIKey | OUJBJCWJLAEZJY-XZSWUTCOSA-N |
| Molecular Weight | 249.151 g/mol |
| SMILES | C(\C=C\C=C\C=C\Br)C1=CC=CC=C1 |