| SpectraBase Compound ID | C5vXqOSIyXS |
|---|---|
| InChI | InChI=1S/C5H3F7I2/c6-3(7,5(11,12)14)1-2(13)4(8,9)10/h2H,1H2 |
| InChIKey | SDWYNNOQYNEDJN-UHFFFAOYSA-N |
| Mol Weight | 449.88 g/mol |
| Molecular Formula | C5H3F7I2 |
| Exact Mass | 449.821237 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5uUfK3Mts2o |
|---|---|
| Name | 1,1,2,2,5,5,5-Heptafluoro-1,4-diiodopentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.821237238 u |
| Formula | C5H3F7I2 |
| InChI | InChI=1S/C5H3F7I2/c6-3(7,5(11,12)14)1-2(13)4(8,9)10/h2H,1H2 |
| InChIKey | SDWYNNOQYNEDJN-UHFFFAOYSA-N |
| Molecular Weight | 449.877 g/mol |
| SMILES | C(CC(C(I)(F)F)(F)F)(C(F)(F)F)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907124 |