| SpectraBase Compound ID | Kdbdz7gLkb7 |
|---|---|
| InChI | InChI=1S/C5H6BrCl/c1-2-5(6)3-4-7/h2-3H,1,4H2/b5-3- |
| InChIKey | KILRHOGBRXSBHG-HYXAFXHYSA-N |
| Mol Weight | 181.46 g/mol |
| Molecular Formula | C5H6BrCl |
| Exact Mass | 179.934141 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HJwFL1i7Lqm |
|---|---|
| Name | 3-Bromo-1-chloro-2,4-pentadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.934140893 u |
| Formula | C5H6BrCl |
| InChI | InChI=1S/C5H6BrCl/c1-2-5(6)3-4-7/h2-3H,1,4H2/b5-3- |
| InChIKey | KILRHOGBRXSBHG-HYXAFXHYSA-N |
| Molecular Weight | 181.460 g/mol |
| SMILES | C(\C=C\(C=C)Br)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855732 |