| SpectraBase Compound ID | DabRraqNHQF |
|---|---|
| InChI | InChI=1S/C5H7F3O/c1-4(2-3-9)5(6,7)8/h2,9H,3H2,1H3/b4-2+ |
| InChIKey | ZPBBVQXFDRDVKO-DUXPYHPUSA-N |
| Mol Weight | 140.11 g/mol |
| Molecular Formula | C5H7F3O |
| Exact Mass | 140.044899 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DucovZFhqjS |
|---|---|
| Name | 2-Buten-1-ol, 4,4,4-trifluoro-3-methyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.044899333 u |
| Formula | C5H7F3O |
| InChI | InChI=1S/C5H7F3O/c1-4(2-3-9)5(6,7)8/h2,9H,3H2,1H3/b4-2+ |
| InChIKey | ZPBBVQXFDRDVKO-DUXPYHPUSA-N |
| Molecular Weight | 140.105 g/mol |
| SMILES | C(\C(=C\CO)C)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887455 |