| SpectraBase Compound ID | FkhLTuT1uvD |
|---|---|
| InChI | InChI=1S/C13H12N4O/c1-10(18)16-13-12(7-14)8-15-17(13)9-11-5-3-2-4-6-11/h2-6,8H,9H2,1H3,(H,16,18) |
| InChIKey | HABPXKZREIBATQ-UHFFFAOYSA-N |
| Mol Weight | 240.27 g/mol |
| Molecular Formula | C13H12N4O |
| Exact Mass | 240.101111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EH6ffeUZWwf |
|---|---|
| Name | N-(1-Benzyl-4-cyano-1H-pyrazol-5-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.101111021 u |
| Formula | C13H12N4O |
| InChI | InChI=1S/C13H12N4O/c1-10(18)16-13-12(7-14)8-15-17(13)9-11-5-3-2-4-6-11/h2-6,8H,9H2,1H3,(H,16,18) |
| InChIKey | HABPXKZREIBATQ-UHFFFAOYSA-N |
| SMILES | N(C=1N(N=CC1C#N)CC=1C=CC=CC1)C(=O)C |