| SpectraBase Compound ID | 2J0Qk74oB1Q |
|---|---|
| InChI | InChI=1S/C4H2F3N/c5-4(6,7)2-1-3-8/h1-2H/b2-1+ |
| InChIKey | LHWSEFCIRYVTLZ-OWOJBTEDSA-N |
| Mol Weight | 121.06 g/mol |
| Molecular Formula | C4H2F3N |
| Exact Mass | 121.013934 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KDZVvK1ssnJ |
|---|---|
| Name | 4,4,4-Trifluorobut-2-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.013933557 u |
| Formula | C4H2F3N |
| InChI | InChI=1S/C4H2F3N/c5-4(6,7)2-1-3-8/h1-2H/b2-1+ |
| InChIKey | LHWSEFCIRYVTLZ-OWOJBTEDSA-N |
| Molecular Weight | 121.062 g/mol |
| SMILES | C(\C=C\C(F)(F)F)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942001 |