| SpectraBase Compound ID | CebHyjUk1MY |
|---|---|
| InChI | InChI=1S/C9H7BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,1H3 |
| InChIKey | LKTYRDOTIUSCDP-UHFFFAOYSA-N |
| Mol Weight | 211.06 g/mol |
| Molecular Formula | C9H7BrO |
| Exact Mass | 209.968028 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | OGdw6dAPBv |
|---|---|
| Name | 1-(2-Bromoethynyl)-4-methoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.968027844 u |
| Formula | C9H7BrO |
| InChI | InChI=1S/C9H7BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,1H3 |
| InChIKey | LKTYRDOTIUSCDP-UHFFFAOYSA-N |
| Molecular Weight | 211.058 g/mol |
| SMILES | C=1(OC)C=CC(=CC1)C#CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942328 |