| SpectraBase Compound ID | 7WdR7QSUMmA |
|---|---|
| InChI | InChI=1S/C14H17FN4Si/c1-10-13(9-16)14(18-20(2,3)4)19(17-10)12-7-5-11(15)6-8-12/h5-8,18H,1-4H3 |
| InChIKey | KBKDGAOLKUPAQV-UHFFFAOYSA-N |
| Mol Weight | 288.4 g/mol |
| Molecular Formula | C14H17FN4Si |
| Exact Mass | 288.120651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39ZEN2eQPGF |
|---|---|
| Name | 5-Amino-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.120651261 u |
| Formula | C14H17FN4Si |
| InChI | InChI=1S/C14H17FN4Si/c1-10-13(9-16)14(18-20(2,3)4)19(17-10)12-7-5-11(15)6-8-12/h5-8,18H,1-4H3 |
| InChIKey | KBKDGAOLKUPAQV-UHFFFAOYSA-N |
| Molecular Weight | 288.401 g/mol |
| SMILES | C1(=NN(C(=C1C#N)N[Si](C)(C)C)C1=CC=C(C=C1)F)C |