| SpectraBase Compound ID | CYFvf0KeJDd |
|---|---|
| InChI | InChI=1S/C4BrClF6/c5-3(8,9)2(7)1(6)4(10,11)12/b2-1+ |
| InChIKey | PRFQCFBDDXVJJR-OWOJBTEDSA-N |
| Mol Weight | 277.39 g/mol |
| Molecular Formula | C4BrClF6 |
| Exact Mass | 275.87761 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B73ZAV7MMDZ |
|---|---|
| Name | 1-Bromo-3-chloro-1,1,2,4,4,4-hexafluorobut-2-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.877609678 u |
| Formula | C4BrClF6 |
| InChI | InChI=1S/C4BrClF6/c5-3(8,9)2(7)1(6)4(10,11)12/b2-1+ |
| InChIKey | PRFQCFBDDXVJJR-OWOJBTEDSA-N |
| Molecular Weight | 277.391 g/mol |
| SMILES | C(\C(=C\(C(F)(F)F)Cl)F)(Br)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893274 |