| SpectraBase Compound ID | 5KGAoIGOrlj |
|---|---|
| InChI | InChI=1S/C15H14ClN3O3/c1-9(20)18(10(2)21)15-8-14(17-19(15)11(3)22)12-6-4-5-7-13(12)16/h4-8H,1-3H3 |
| InChIKey | YMDGRIFPJIQUIG-UHFFFAOYSA-N |
| Mol Weight | 319.75 g/mol |
| Molecular Formula | C15H14ClN3O3 |
| Exact Mass | 319.072369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G90FmhOBAUp |
|---|---|
| Name | 3-(2-Chlorophenyl)-1H-pyrazol-5-amine, 3ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.072369020 u |
| Formula | C15H14ClN3O3 |
| InChI | InChI=1S/C15H14ClN3O3/c1-9(20)18(10(2)21)15-8-14(17-19(15)11(3)22)12-6-4-5-7-13(12)16/h4-8H,1-3H3 |
| InChIKey | YMDGRIFPJIQUIG-UHFFFAOYSA-N |
| Molecular Weight | 319.748 g/mol |
| SMILES | C1(=NN(C(=C1)N(C(=O)C)C(=O)C)C(=O)C)C1=C(C=CC=C1)Cl |