| SpectraBase Compound ID | FtqRudLW3kF |
|---|---|
| InChI | InChI=1S/C12H11N3/c13-8-4-7-11-9-12(15-14-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7H2,(H,14,15) |
| InChIKey | GIDWXYYWGVLPNF-UHFFFAOYSA-N |
| Mol Weight | 197.24 g/mol |
| Molecular Formula | C12H11N3 |
| Exact Mass | 197.095297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nPy7aGcUSo |
|---|---|
| Name | 3-(3-Phenyl-1H-pyrazol-5-yl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.095297366 u |
| Formula | C12H11N3 |
| InChI | InChI=1S/C12H11N3/c13-8-4-7-11-9-12(15-14-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7H2,(H,14,15) |
| InChIKey | GIDWXYYWGVLPNF-UHFFFAOYSA-N |
| Molecular Weight | 197.241 g/mol |
| SMILES | C1(=NNC(=C1)CCC#N)C=1C=CC=CC1 |