| SpectraBase Compound ID | 44WiXL1xtCO |
|---|---|
| InChI | InChI=1S/C8H11Br/c9-8-6-4-2-1-3-5-7-8/h2,4-5,7-8H,1,3,6H2/b4-2-,7-5- |
| InChIKey | XQQKELZZZRWNHG-ILNZVKDWSA-N |
| Mol Weight | 187.08 g/mol |
| Molecular Formula | C8H11Br |
| Exact Mass | 186.004413 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cld8zJHG4BT |
|---|---|
| Name | 1,5-Cyclooctadiene, 3-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.004413354 u |
| Formula | C8H11Br |
| InChI | InChI=1S/C8H11Br/c9-8-6-4-2-1-3-5-7-8/h2,4-5,7-8H,1,3,6H2/b4-2-,7-5- |
| InChIKey | XQQKELZZZRWNHG-ILNZVKDWSA-N |
| Molecular Weight | 187.080 g/mol |
| SMILES | C1C\C=C/C(C\C=C/1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980752 |