| SpectraBase Compound ID | 32B3xSm2yQa |
|---|---|
| InChI | InChI=1S/C16H14BrN3O/c1-10-14(17)15(19-20(10)2)16(21)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H,18,21) |
| InChIKey | QQUZJSTXFRKQDX-UHFFFAOYSA-N |
| Mol Weight | 344.21 g/mol |
| Molecular Formula | C16H14BrN3O |
| Exact Mass | 343.032025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rGgon0LvRI |
|---|---|
| Name | 4-Bromo-1,5-dimethyl-N-(1-naphthyl)-1H-pyrazole-3-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.032025082 u |
| Formula | C16H14BrN3O |
| InChI | InChI=1S/C16H14BrN3O/c1-10-14(17)15(19-20(10)2)16(21)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H,18,21) |
| InChIKey | QQUZJSTXFRKQDX-UHFFFAOYSA-N |
| Molecular Weight | 344.212 g/mol |
| SMILES | N(C(C1=NN(C)C(=C1Br)C)=O)C=1C2=C(C=CC=C2)C=CC1 |