| SpectraBase Compound ID | 2ARhylHYfXP |
|---|---|
| InChI | InChI=1S/C9H7Br/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,1H3 |
| InChIKey | XINBRILTVYGCQV-UHFFFAOYSA-N |
| Mol Weight | 195.06 g/mol |
| Molecular Formula | C9H7Br |
| Exact Mass | 193.973113 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H5MLaLE1Msy |
|---|---|
| Name | 1-(2-Bromoethynyl)-4-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.973113225 u |
| Formula | C9H7Br |
| InChI | InChI=1S/C9H7Br/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,1H3 |
| InChIKey | XINBRILTVYGCQV-UHFFFAOYSA-N |
| Molecular Weight | 195.059 g/mol |
| SMILES | C(Br)#CC=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812251 |