| SpectraBase Compound ID | IDwmXyM5PBe |
|---|---|
| InChI | InChI=1S/C21H16ClN/c1-14-7-9-16(10-8-14)21-20(15-5-3-2-4-6-15)18-13-17(22)11-12-19(18)23-21/h2-13,23H,1H3 |
| InChIKey | NLHCGYYZFPOSFV-UHFFFAOYSA-N |
| Mol Weight | 317.82 g/mol |
| Molecular Formula | C21H16ClN |
| Exact Mass | 317.097127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6Tr1cH4CVu |
|---|---|
| Name | 5-Chloro-2-(4-methylphenyl)-3-phenylindole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.097127219 u |
| Formula | C21H16ClN |
| InChI | InChI=1S/C21H16ClN/c1-14-7-9-16(10-8-14)21-20(15-5-3-2-4-6-15)18-13-17(22)11-12-19(18)23-21/h2-13,23H,1H3 |
| InChIKey | NLHCGYYZFPOSFV-UHFFFAOYSA-N |
| Molecular Weight | 317.819 g/mol |
| SMILES | C1(=C(C=2C=C(Cl)C=CC2N1)C1=CC=CC=C1)C=1C=CC(=CC1)C |