| SpectraBase Compound ID | 6j8ddiHiB71 |
|---|---|
| InChI | InChI=1S/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | BPVHWNVBBDHIQU-UHFFFAOYSA-N |
| Mol Weight | 181.03 g/mol |
| Molecular Formula | C8H5Br |
| Exact Mass | 179.957463 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EbxNjQYIP0m |
|---|---|
| Name | 2-Bromoethynylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.957463161 u |
| Formula | C8H5Br |
| InChI | InChI=1S/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | BPVHWNVBBDHIQU-UHFFFAOYSA-N |
| Molecular Weight | 181.032 g/mol |
| SMILES | C(Br)#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946128 |