| SpectraBase Compound ID | K44IMLZM1uS |
|---|---|
| InChI | InChI=1S/C10H7FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 |
| InChIKey | SZEJYPAPBGNEMH-UHFFFAOYSA-N |
| Mol Weight | 202.19 g/mol |
| Molecular Formula | C10H7FN4 |
| Exact Mass | 202.065474 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75aJwFVL4dW |
|---|---|
| Name | 5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.065474404 u |
| Formula | C10H7FN4 |
| InChI | InChI=1S/C10H7FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 |
| InChIKey | SZEJYPAPBGNEMH-UHFFFAOYSA-N |
| Molecular Weight | 202.192 g/mol |
| SMILES | C1(F)=CC=C(C=C1)N1N=CC(=C1N)C#N |