| SpectraBase Compound ID | DTWINDbGshl |
|---|---|
| InChI | InChI=1S/C3HF6I/c4-2(5,6)1(10)3(7,8)9/h1H |
| InChIKey | KQSPFAXUTMJXCT-UHFFFAOYSA-N |
| Mol Weight | 277.936 g/mol |
| Molecular Formula | C3HF6I |
| Exact Mass | 277.902714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8SARNLM7Do5 |
|---|---|
| Name | Propane, 1,1,1,3,3,3-hexafluoro-2-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.902714010 u |
| Formula | C3HF6I |
| InChI | InChI=1S/C3HF6I/c4-2(5,6)1(10)3(7,8)9/h1H |
| InChIKey | KQSPFAXUTMJXCT-UHFFFAOYSA-N |
| Molecular Weight | 277.936 g/mol |
| SMILES | C(C(C(F)(F)F)I)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947575 |