SpectraBase Compound ID | JCKza0VXzuM |
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InChI | InChI=1S/C4F9N/c5-1(2(6,7)8)14-4(12,13)3(9,10)11/b14-1- |
InChIKey | LQQBAJRONUPTHM-CZGRTTJISA-N |
Mol Weight | 233.04 g/mol |
Molecular Formula | C4F9N |
Exact Mass | 232.988702 g/mol |
SpectraBase Spectrum ID | Z4Z7dOO1XF |
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Name | 2,2,2-Trifluoro-N-(pentafluoroethyl)ethanimidoyl fluoride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 232.988702471 u |
Formula | C4F9N |
InChI | InChI=1S/C4F9N/c5-1(2(6,7)8)14-4(12,13)3(9,10)11/b14-1- |
InChIKey | LQQBAJRONUPTHM-CZGRTTJISA-N |
Molecular Weight | 233.037 g/mol |
SMILES | C(\C(=N\C(C(F)(F)F)(F)F)F)(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917384 |