| SpectraBase Compound ID | 8YqEDiilUEq |
|---|---|
| InChI | InChI=1S/C11H11Br/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2/b11-9+ |
| InChIKey | GNWUNXKLURFNBS-PKNBQFBNSA-N |
| Mol Weight | 223.11 g/mol |
| Molecular Formula | C11H11Br |
| Exact Mass | 222.004413 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9zIk8uUaokI |
|---|---|
| Name | (E)-1-Bromo-2-phenyl-1,4-pentadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.004413354 u |
| Formula | C11H11Br |
| InChI | InChI=1S/C11H11Br/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2/b11-9+ |
| InChIKey | GNWUNXKLURFNBS-PKNBQFBNSA-N |
| Molecular Weight | 223.113 g/mol |
| SMILES | C=1C=CC=CC1\C(=C\Br)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979768 |