| SpectraBase Compound ID | ExBnF2erhwl |
|---|---|
| InChI | InChI=1S/C5H3F6NO/c1-3(13-2-12,4(6,7)8)5(9,10)11/h1H3 |
| InChIKey | MOOBOWZKMZDGRS-UHFFFAOYSA-N |
| Mol Weight | 207.08 g/mol |
| Molecular Formula | C5H3F6NO |
| Exact Mass | 207.011883 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CnPvbGsA88r |
|---|---|
| Name | 1,1-di(Trifluoromethyl)ethyl cyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.011882698 u |
| Formula | C5H3F6NO |
| InChI | InChI=1S/C5H3F6NO/c1-3(13-2-12,4(6,7)8)5(9,10)11/h1H3 |
| InChIKey | MOOBOWZKMZDGRS-UHFFFAOYSA-N |
| Molecular Weight | 207.075 g/mol |
| SMILES | CC(OC#N)(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920975 |