| SpectraBase Compound ID | Fp4aqe271lv |
|---|---|
| InChI | InChI=1S/C4F3N/c5-4(6,7)2-1-3-8 |
| InChIKey | YZNFAKUUGQFZOK-UHFFFAOYSA-N |
| Mol Weight | 119.05 g/mol |
| Molecular Formula | C4F3N |
| Exact Mass | 118.998283 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KyutlzaR8TW |
|---|---|
| Name | 2-Butynenitrile, 4,4,4-trifluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.998283493 u |
| Formula | C4F3N |
| InChI | InChI=1S/C4F3N/c5-4(6,7)2-1-3-8 |
| InChIKey | YZNFAKUUGQFZOK-UHFFFAOYSA-N |
| Molecular Weight | 119.046 g/mol |
| SMILES | C(C(F)(F)F)#CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969407 |