| SpectraBase Compound ID | IOMJh2edjWx |
|---|---|
| InChI | InChI=1S/C12H9N5/c13-5-8-11(16-17-12(8)14)9-6-15-10-4-2-1-3-7(9)10/h1-4,6,15H,(H3,14,16,17) |
| InChIKey | LGZUVXUQOFFIEY-UHFFFAOYSA-N |
| Mol Weight | 223.24 g/mol |
| Molecular Formula | C12H9N5 |
| Exact Mass | 223.085795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vPEydKZA8w |
|---|---|
| Name | 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.085795310 u |
| Formula | C12H9N5 |
| InChI | InChI=1S/C12H9N5/c13-5-8-11(16-17-12(8)14)9-6-15-10-4-2-1-3-7(9)10/h1-4,6,15H,(H3,14,16,17) |
| InChIKey | LGZUVXUQOFFIEY-UHFFFAOYSA-N |
| Molecular Weight | 223.239 g/mol |
| SMILES | C1=CC=2NC=C(C2C=C1)C1=C(C(N)=NN1)C#N |