| SpectraBase Compound ID | JI0LKvshmms |
|---|---|
| InChI | InChI=1S/C21H15ClN2/c22-17-10-12-18(13-11-17)23-21-19-9-5-4-8-16(19)14-20(24-21)15-6-2-1-3-7-15/h1-14H,(H,23,24) |
| InChIKey | WGPHKYFZZHIDMJ-UHFFFAOYSA-N |
| Mol Weight | 330.82 g/mol |
| Molecular Formula | C21H15ClN2 |
| Exact Mass | 330.092376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INm2cLcacAp |
|---|---|
| Name | 3-Phenyl-1-(p-chlorophenylamino)isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.092376191 u |
| Formula | C21H15ClN2 |
| InChI | InChI=1S/C21H15ClN2/c22-17-10-12-18(13-11-17)23-21-19-9-5-4-8-16(19)14-20(24-21)15-6-2-1-3-7-15/h1-14H,(H,23,24) |
| InChIKey | WGPHKYFZZHIDMJ-UHFFFAOYSA-N |
| Molecular Weight | 330.818 g/mol |
| SMILES | C1(=NC(C=2C=CC=CC2)=CC2=C1C=CC=C2)NC=1C=CC(=CC1)Cl |