| SpectraBase Compound ID | 8Vbd9pl3iRn |
|---|---|
| InChI | InChI=1S/C18H16N4/c1-13-8-10-15(11-9-13)20-18-17(12-19)14(2)21-22(18)16-6-4-3-5-7-16/h3-11,20H,1-2H3 |
| InChIKey | BBSRMFJCVFLIIJ-UHFFFAOYSA-N |
| Mol Weight | 288.35 g/mol |
| Molecular Formula | C18H16N4 |
| Exact Mass | 288.137497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9r2YkPaEUcm |
|---|---|
| Name | 3-Methyl-1-phenyl-5-(p-toluidino)pyrazole-4-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.137496531 u |
| Formula | C18H16N4 |
| InChI | InChI=1S/C18H16N4/c1-13-8-10-15(11-9-13)20-18-17(12-19)14(2)21-22(18)16-6-4-3-5-7-16/h3-11,20H,1-2H3 |
| InChIKey | BBSRMFJCVFLIIJ-UHFFFAOYSA-N |
| SMILES | C=1(N(N=C(C1C#N)C)C=1C=CC=CC1)NC1=CC=C(C=C1)C |