| SpectraBase Compound ID | G1mXkz0VdzL |
|---|---|
| InChI | InChI=1S/C18H12ClN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22) |
| InChIKey | DTFPADSQKJTDTO-UHFFFAOYSA-N |
| Mol Weight | 305.77 g/mol |
| Molecular Formula | C18H12ClN3 |
| Exact Mass | 305.071975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DP8CZJICSm |
|---|---|
| Name | 2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.071975098 u |
| Formula | C18H12ClN3 |
| InChI | InChI=1S/C18H12ClN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22) |
| InChIKey | DTFPADSQKJTDTO-UHFFFAOYSA-N |
| Molecular Weight | 305.768 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C1=C(C(=NC(=C1)C1=CC=CC=C1)N)C#N |