| SpectraBase Compound ID | IPmYMZNDKRi |
|---|---|
| InChI | InChI=1S/C3H4N2.C2HF3O2/c1-2-4-5-3-1;3-2(4,5)1(6)7/h1-3H,(H,4,5);(H,6,7) |
| InChIKey | IUTXDJBBFCQZRQ-UHFFFAOYSA-N |
| Mol Weight | 182.102 g/mol |
| Molecular Formula | C5H5F3N2O2 |
| Exact Mass | 182.030312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1sWhu7mkvnB |
|---|---|
| Name | Pyrazole, trifluoroacetate(1:1)(salt) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.030311896 u |
| Formula | C5H5F3N2O2 |
| InChI | InChI=1S/C3H4N2.C2HF3O2/c1-2-4-5-3-1;3-2(4,5)1(6)7/h1-3H,(H,4,5);(H,6,7) |
| InChIKey | IUTXDJBBFCQZRQ-UHFFFAOYSA-N |
| Molecular Weight | 182.102 g/mol |
| SMILES | C(F)(F)(F)C(O)=O.N1N=CC=C1 |