| SpectraBase Compound ID | ALFPDZQHuWr |
|---|---|
| InChI | InChI=1S/C14H17N3O2/c1-10-9-13(14(2,3)4)16(15-10)11-5-7-12(8-6-11)17(18)19/h5-9H,1-4H3 |
| InChIKey | QUFBDJZDOWWXGU-UHFFFAOYSA-N |
| Mol Weight | 259.31 g/mol |
| Molecular Formula | C14H17N3O2 |
| Exact Mass | 259.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1wEUj29TK0i |
|---|---|
| Name | 5-Tert-butyl-3-methyl-1-(4-nitrophenyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.132076797 u |
| Formula | C14H17N3O2 |
| InChI | InChI=1S/C14H17N3O2/c1-10-9-13(14(2,3)4)16(15-10)11-5-7-12(8-6-11)17(18)19/h5-9H,1-4H3 |
| InChIKey | QUFBDJZDOWWXGU-UHFFFAOYSA-N |
| Molecular Weight | 259.309 g/mol |
| SMILES | C1(=NN(C(=C1)C(C)(C)C)C=1C=CC(=CC1)N(=O)=O)C |