| SpectraBase Compound ID | G9rREqsu4Qk |
|---|---|
| InChI | InChI=1S/C5H6BrCl5/c6-4(8)1-3(7)2-5(9,10)11/h3-4H,1-2H2 |
| InChIKey | KCSBIHDKDVZOGI-UHFFFAOYSA-N |
| Mol Weight | 323.3 g/mol |
| Molecular Formula | C5H6BrCl5 |
| Exact Mass | 319.809552 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 18s4UnMtRPh |
|---|---|
| Name | 5-Bromo-1,1,1,3,5-pentachloropentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.809551693 u |
| Formula | C5H6BrCl5 |
| InChI | InChI=1S/C5H6BrCl5/c6-4(8)1-3(7)2-5(9,10)11/h3-4H,1-2H2 |
| InChIKey | KCSBIHDKDVZOGI-UHFFFAOYSA-N |
| Molecular Weight | 323.272 g/mol |
| SMILES | C(CC(CC(Cl)Br)Cl)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927609 |