| SpectraBase Compound ID | GgY2BzxaSxG |
|---|---|
| InChI | InChI=1S/C13H15N3O2/c1-2-18-13(17)11-8-15-16(12(11)14)9-10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3 |
| InChIKey | SDKPSMKNXBQGQU-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C13H15N3O2 |
| Exact Mass | 245.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10SOTw8XPQX |
|---|---|
| Name | Pyrazole-4-carboxylic acid, 5-amino-1-benzyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.116426733 u |
| Formula | C13H15N3O2 |
| InChI | InChI=1S/C13H15N3O2/c1-2-18-13(17)11-8-15-16(12(11)14)9-10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3 |
| InChIKey | SDKPSMKNXBQGQU-UHFFFAOYSA-N |
| Molecular Weight | 245.282 g/mol |
| SMILES | C1=NN(C(=C1C(=O)OCC)N)CC1=CC=CC=C1 |