| SpectraBase Compound ID | SL5zUug4GD |
|---|---|
| InChI | InChI=1S/C10H9ClFN3/c11-8-2-1-3-9(12)7(8)6-15-5-4-10(13)14-15/h1-5H,6H2,(H2,13,14) |
| InChIKey | ADERVFSKRRBTBO-UHFFFAOYSA-N |
| Mol Weight | 225.65 g/mol |
| Molecular Formula | C10H9ClFN3 |
| Exact Mass | 225.046903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OO35cVSCVN |
|---|---|
| Name | Pyrazol-3-amine, 1-(2-chloro-6-fluorobenzyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.046903165 u |
| Formula | C10H9ClFN3 |
| InChI | InChI=1S/C10H9ClFN3/c11-8-2-1-3-9(12)7(8)6-15-5-4-10(13)14-15/h1-5H,6H2,(H2,13,14) |
| InChIKey | ADERVFSKRRBTBO-UHFFFAOYSA-N |
| Molecular Weight | 225.654 g/mol |
| SMILES | C1(CN2C=CC(=N2)N)=C(C=CC=C1F)Cl |