| SpectraBase Compound ID | KjVrbDaNmQ9 |
|---|---|
| InChI | InChI=1S/C8H4F3IO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4H |
| InChIKey | GCWVQAKIKOQSGP-UHFFFAOYSA-N |
| Mol Weight | 300.02 g/mol |
| Molecular Formula | C8H4F3IO |
| Exact Mass | 299.925894 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4AXziVzDkH7 |
|---|---|
| Name | Ethanone, 2,2,2-trifluoro-1-(4-iodophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.925894237 u |
| Formula | C8H4F3IO |
| InChI | InChI=1S/C8H4F3IO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4H |
| InChIKey | GCWVQAKIKOQSGP-UHFFFAOYSA-N |
| Molecular Weight | 300.019 g/mol |
| SMILES | C1=CC(=CC=C1I)C(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846343 |