| SpectraBase Compound ID | HhFgjMsSpF6 |
|---|---|
| InChI | InChI=1S/C5H4F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H2 |
| InChIKey | NRVDKMYDLZBFEH-UHFFFAOYSA-N |
| Mol Weight | 323.98 g/mol |
| Molecular Formula | C5H4F7I |
| Exact Mass | 323.924592 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1tGERG5TlWc |
|---|---|
| Name | 3-Fluoro-3,3-bis-(trifluoromethyl)-1-iodopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.924592270 u |
| Formula | C5H4F7I |
| InChI | InChI=1S/C5H4F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H2 |
| InChIKey | NRVDKMYDLZBFEH-UHFFFAOYSA-N |
| Molecular Weight | 323.980 g/mol |
| SMILES | C(F)(C(F)(F)F)(C(F)(F)F)CCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899717 |