![2-[5-(4-Chlorophenyl)-2-phenyl-3-pyrazolyl]acetonitrile](/api/spectrum/C3RlXMTFONe/structure.png?h=300&w=458 "2-[5-(4-Chlorophenyl)-2-phenyl-3-pyrazolyl]acetonitrile")
| SpectraBase Compound ID | 2r34guaCdxR |
|---|---|
| InChI | InChI=1S/C17H12ClN3/c18-14-8-6-13(7-9-14)17-12-16(10-11-19)21(20-17)15-4-2-1-3-5-15/h1-9,12H,10H2 |
| InChIKey | CTWKRMCPHTWRIP-UHFFFAOYSA-N |
| Mol Weight | 293.76 g/mol |
| Molecular Formula | C17H12ClN3 |
| Exact Mass | 293.071975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3RlXMTFONe |
|---|---|
| Name | 2-[5-(4-Chlorophenyl)-2-phenyl-3-pyrazolyl]acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.071975098 u |
| Formula | C17H12ClN3 |
| InChI | InChI=1S/C17H12ClN3/c18-14-8-6-13(7-9-14)17-12-16(10-11-19)21(20-17)15-4-2-1-3-5-15/h1-9,12H,10H2 |
| InChIKey | CTWKRMCPHTWRIP-UHFFFAOYSA-N |
| Molecular Weight | 293.757 g/mol |
| SMILES | C(CC=1N(N=C(C1)C=1C=CC(=CC1)Cl)C=1C=CC=CC1)#N |