| SpectraBase Compound ID | Aa494VhdOsB |
|---|---|
| InChI | InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3 |
| InChIKey | SRDSLLHGDLOTGF-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C12H13N3O2 |
| Exact Mass | 231.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2B8pb3rycSR |
|---|---|
| Name | 5-Amino-1-phenylpyrazole-3-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.100776669 u |
| Formula | C12H13N3O2 |
| InChI | InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3 |
| InChIKey | SRDSLLHGDLOTGF-UHFFFAOYSA-N |
| Molecular Weight | 231.255 g/mol |
| SMILES | NC1=CC(=NN1C=1C=CC=CC1)C(OCC)=O |