| SpectraBase Compound ID | 5tsjXmM5qjW |
|---|---|
| InChI | InChI=1S/C14H17N3O2/c1-3-19-14(18)12-8-16-17(13(12)15)9-11-6-4-10(2)5-7-11/h4-8H,3,9,15H2,1-2H3 |
| InChIKey | GRZBHWKKQUNVTJ-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 | 8P20xCbH9R1 |
|---|---|
| Name | Ethyl 5-amino-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate |
| 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/c1-3-19-14(18)12-8-16-17(13(12)15)9-11-6-4-10(2)5-7-11/h4-8H,3,9,15H2,1-2H3 |
| InChIKey | GRZBHWKKQUNVTJ-UHFFFAOYSA-N |
| Molecular Weight | 259.309 g/mol |
| SMILES | NC1=C(C=NN1CC1=CC=C(C=C1)C)C(=O)OCC |