| SpectraBase Compound ID | 8oeksHJGJuN |
|---|---|
| InChI | InChI=1S/C14H16BrN3O/c1-4-18-10(3)11(8-16-18)14(19)17-13-6-5-9(2)7-12(13)15/h5-8H,4H2,1-3H3,(H,17,19) |
| InChIKey | AZDAXOPXAQRVTJ-UHFFFAOYSA-N |
| Mol Weight | 322.21 g/mol |
| Molecular Formula | C14H16BrN3O |
| Exact Mass | 321.047675 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C95EDmA5KVG |
|---|---|
| Name | N-(2-Bromo-4-methylphenyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.047675146 u |
| Formula | C14H16BrN3O |
| InChI | InChI=1S/C14H16BrN3O/c1-4-18-10(3)11(8-16-18)14(19)17-13-6-5-9(2)7-12(13)15/h5-8H,4H2,1-3H3,(H,17,19) |
| InChIKey | AZDAXOPXAQRVTJ-UHFFFAOYSA-N |
| Molecular Weight | 322.206 g/mol |
| SMILES | N(C=1C(=CC(=CC1)C)Br)C(C1=C(N(CC)N=C1)C)=O |