| SpectraBase Compound ID | 2MoY3L4lTb |
|---|---|
| InChI | InChI=1S/C8H3BrCl2/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H |
| InChIKey | FSKJJXMPDDSCGD-UHFFFAOYSA-N |
| Mol Weight | 249.92 g/mol |
| Molecular Formula | C8H3BrCl2 |
| Exact Mass | 247.879518 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3YWFPgVoSFJ |
|---|---|
| Name | 1,3-Dichloro-2-(bromoethynyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.879518497 u |
| Formula | C8H3BrCl2 |
| InChI | InChI=1S/C8H3BrCl2/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H |
| InChIKey | FSKJJXMPDDSCGD-UHFFFAOYSA-N |
| Molecular Weight | 249.922 g/mol |
| SMILES | C=1(C(=C(C=CC1)Cl)C#CBr)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915178 |