| SpectraBase Compound ID | 5XGV9gJ0Wo0 |
|---|---|
| InChI | InChI=1S/C3HF5O2.C3H4N2/c4-2(5,1(9)10)3(6,7)8;1-2-5-3-4-1/h(H,9,10);1-3H,(H,4,5) |
| InChIKey | RBBUNFKWHMWBAN-UHFFFAOYSA-N |
| Mol Weight | 232.11 g/mol |
| Molecular Formula | C6H5F5N2O2 |
| Exact Mass | 232.027118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5doDP7orHlI |
|---|---|
| Name | Imidazol, pentafluoropropionate(1:1)(salt) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.027118222 u |
| Formula | C6H5F5N2O2 |
| InChI | InChI=1S/C3HF5O2.C3H4N2/c4-2(5,1(9)10)3(6,7)8;1-2-5-3-4-1/h(H,9,10);1-3H,(H,4,5) |
| InChIKey | RBBUNFKWHMWBAN-UHFFFAOYSA-N |
| Molecular Weight | 232.110 g/mol |
| SMILES | OC(C(C(F)(F)F)(F)F)=O.N1C=NC=C1 |