| SpectraBase Compound ID | BZB8rjer1Tw |
|---|---|
| InChI | InChI=1S/C7H5F4N/c8-6(9)4-5(2-1-3-12)7(6,10)11/h1-2,5H,4H2/b2-1+ |
| InChIKey | AKPVDBZZVKKYQQ-OWOJBTEDSA-N |
| Mol Weight | 179.12 g/mol |
| Molecular Formula | C7H5F4N |
| Exact Mass | 179.035812 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EvuCWde5zBE |
|---|---|
| Name | 3-(2-Cyanovinyl)-1,1,2,2-tetrafluorocyclobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.035811817 u |
| Formula | C7H5F4N |
| InChI | InChI=1S/C7H5F4N/c8-6(9)4-5(2-1-3-12)7(6,10)11/h1-2,5H,4H2/b2-1+ |
| InChIKey | AKPVDBZZVKKYQQ-OWOJBTEDSA-N |
| Molecular Weight | 179.118 g/mol |
| SMILES | C1(C(F)(F)C(C1)\C=C\C#N)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910333 |