| SpectraBase Compound ID | 33m2WzASL5T |
|---|---|
| InChI | InChI=1S/C5H3F7/c6-3(7)4(8,9)1-2-5(10,11)12/h1-3H/b2-1+ |
| InChIKey | QZCKBTDQSJQYKL-OWOJBTEDSA-N |
| Mol Weight | 196.07 g/mol |
| Molecular Formula | C5H3F7 |
| Exact Mass | 196.012297 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IwvZzPF46UZ |
|---|---|
| Name | 1,1,1,4,4,5,5-Heptafluoropent-2-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.012297238 u |
| Formula | C5H3F7 |
| InChI | InChI=1S/C5H3F7/c6-3(7)4(8,9)1-2-5(10,11)12/h1-3H/b2-1+ |
| InChIKey | QZCKBTDQSJQYKL-OWOJBTEDSA-N |
| Molecular Weight | 196.068 g/mol |
| SMILES | C(\C=C\C(F)(F)F)(C(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948348 |