| SpectraBase Compound ID | 5vDKPyy4WFZ |
|---|---|
| InChI | InChI=1S/C16H21N3O/c1-5-11(2)13-6-8-14(9-7-13)17-16(20)15-10-19(4)18-12(15)3/h6-11H,5H2,1-4H3,(H,17,20) |
| InChIKey | GVYAOVMDXOHGIO-UHFFFAOYSA-N |
| Mol Weight | 271.36 g/mol |
| Molecular Formula | C16H21N3O |
| Exact Mass | 271.168462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPNo2KNGbdb |
|---|---|
| Name | N-(4-sec-Butylphenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.168462307 u |
| Formula | C16H21N3O |
| InChI | InChI=1S/C16H21N3O/c1-5-11(2)13-6-8-14(9-7-13)17-16(20)15-10-19(4)18-12(15)3/h6-11H,5H2,1-4H3,(H,17,20) |
| InChIKey | GVYAOVMDXOHGIO-UHFFFAOYSA-N |
| Molecular Weight | 271.364 g/mol |
| SMILES | N(C=1C=CC(=CC1)C(CC)C)C(C=1C(=NN(C1)C)C)=O |