![1-Iodohexafluorobicyclo[1.1.1]pentane](/api/spectrum/JqnMULqeZ1h/structure.png?h=300&w=458 "1-Iodohexafluorobicyclo[1.1.1]pentane")
| SpectraBase Compound ID | BD3GMGCK6p3 |
|---|---|
| InChI | InChI=1S/C5HF6I/c6-2(7)1-3(8,9)5(2,12)4(1,10)11/h1H |
| InChIKey | RRDLQJFVFONBOS-UHFFFAOYSA-N |
| Mol Weight | 301.96 g/mol |
| Molecular Formula | C5HF6I |
| Exact Mass | 301.902714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JqnMULqeZ1h |
|---|---|
| Name | 1-Iodohexafluorobicyclo[1.1.1]pentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.902714010 u |
| Formula | C5HF6I |
| InChI | InChI=1S/C5HF6I/c6-2(7)1-3(8,9)5(2,12)4(1,10)11/h1H |
| InChIKey | RRDLQJFVFONBOS-UHFFFAOYSA-N |
| Molecular Weight | 301.958 g/mol |
| SMILES | C12(C(C(C2(F)F)C1(F)F)(F)F)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867631 |