| SpectraBase Compound ID | 7Aeu2MYujRn |
|---|---|
| InChI | InChI=1S/C4H2F3N/c1-3(2-8)4(5,6)7/h1H2 |
| InChIKey | XHOYJCHWYPGFNS-UHFFFAOYSA-N |
| Mol Weight | 121.06 g/mol |
| Molecular Formula | C4H2F3N |
| Exact Mass | 121.013934 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LnM5PxdlrgW |
|---|---|
| Name | 2-(Trifluoromethyl)acrylonitrile |
| 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/c1-3(2-8)4(5,6)7/h1H2 |
| InChIKey | XHOYJCHWYPGFNS-UHFFFAOYSA-N |
| Molecular Weight | 121.062 g/mol |
| SMILES | C(F)(F)(F)C(=C)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.716141 |