| SpectraBase Compound ID | AoBUMCsLLY |
|---|---|
| InChI | InChI=1S/C23H19Cl2N/c1-16-20(14-17-8-2-5-11-21(17)24)19-10-4-7-13-23(19)26(16)15-18-9-3-6-12-22(18)25/h2-13H,14-15H2,1H3 |
| InChIKey | RLRNSPWDBFXKBY-UHFFFAOYSA-N |
| Mol Weight | 380.32 g/mol |
| Molecular Formula | C23H19Cl2N |
| Exact Mass | 379.089455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DH6u0JDU1dJ |
|---|---|
| Name | 1,3-di-(2-Chlorobenzyl)-2-methylindole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.089455016 u |
| Formula | C23H19Cl2N |
| InChI | InChI=1S/C23H19Cl2N/c1-16-20(14-17-8-2-5-11-21(17)24)19-10-4-7-13-23(19)26(16)15-18-9-3-6-12-22(18)25/h2-13H,14-15H2,1H3 |
| InChIKey | RLRNSPWDBFXKBY-UHFFFAOYSA-N |
| Molecular Weight | 380.318 g/mol |
| SMILES | C=12N(C(=C(C2=CC=CC1)CC1=C(C=CC=C1)Cl)C)CC=1C(=CC=CC1)Cl |