| SpectraBase Compound ID | 2hd9iqKPKAP |
|---|---|
| InChI | InChI=1S/C10H8ClN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14) |
| InChIKey | SKLWKJPYUVLVAE-UHFFFAOYSA-N |
| Mol Weight | 221.65 g/mol |
| Molecular Formula | C10H8ClN3O |
| Exact Mass | 221.03559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4aEtOSqswSF |
|---|---|
| Name | (5-Amino-1H-pyrazol-4-yl)(4-chlorophenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.035589589 u |
| Formula | C10H8ClN3O |
| InChI | InChI=1S/C10H8ClN3O/c11-7-3-1-6(2-4-7)9(15)8-5-13-14-10(8)12/h1-5H,(H3,12,13,14) |
| InChIKey | SKLWKJPYUVLVAE-UHFFFAOYSA-N |
| SMILES | C1(=C(NN=C1)N)C(C1=CC=C(C=C1)Cl)=O |