| SpectraBase Compound ID | 7FIKseuH7cv |
|---|---|
| InChI | InChI=1S/C5H3BrF7I/c6-2(4(9,10)11)1-3(7,8)5(12,13)14/h2H,1H2 |
| InChIKey | WTOXFKCLKNTXRX-UHFFFAOYSA-N |
| Mol Weight | 402.88 g/mol |
| Molecular Formula | C5H3BrF7I |
| Exact Mass | 401.835105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ifgeu8Wl6tu |
|---|---|
| Name | 4-Bromo-1,1,2,2,5,5,5-heptafluoro-1-iodopentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.835105238 u |
| Formula | C5H3BrF7I |
| InChI | InChI=1S/C5H3BrF7I/c6-2(4(9,10)11)1-3(7,8)5(12,13)14/h2H,1H2 |
| InChIKey | WTOXFKCLKNTXRX-UHFFFAOYSA-N |
| Molecular Weight | 402.876 g/mol |
| SMILES | C(CC(C(I)(F)F)(F)F)(C(F)(F)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877086 |