| SpectraBase Compound ID | 6B9sx5zykxA |
|---|---|
| InChI | InChI=1S/C13H13N3O2/c1-9(17)10-4-3-5-12(6-10)15-13(18)11-7-14-16(2)8-11/h3-8H,1-2H3,(H,15,18) |
| InChIKey | LOJQLQHPLIWDMB-UHFFFAOYSA-N |
| Mol Weight | 243.27 g/mol |
| Molecular Formula | C13H13N3O2 |
| Exact Mass | 243.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nkjK4fbpgn |
|---|---|
| Name | N-(3-Acetylphenyl)-1-methyl-1H-pyrazole-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.100776669 u |
| Formula | C13H13N3O2 |
| InChI | InChI=1S/C13H13N3O2/c1-9(17)10-4-3-5-12(6-10)15-13(18)11-7-14-16(2)8-11/h3-8H,1-2H3,(H,15,18) |
| InChIKey | LOJQLQHPLIWDMB-UHFFFAOYSA-N |
| Molecular Weight | 243.266 g/mol |
| SMILES | N(C=1C=C(C(=O)C)C=CC1)C(C1=CN(C)N=C1)=O |