| SpectraBase Compound ID | 7x7Xufn31ot |
|---|---|
| InChI | InChI=1S/C21H18N2O/c1-15-18-7-3-4-8-19(18)23(20-9-5-6-14-22-20)21(15)16-10-12-17(24-2)13-11-16/h3-14H,1-2H3 |
| InChIKey | PRHJWUAZABMIME-UHFFFAOYSA-N |
| Mol Weight | 314.39 g/mol |
| Molecular Formula | C21H18N2O |
| Exact Mass | 314.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gXZUise4G3 |
|---|---|
| Name | 2-(4-Methoxyphenyl)-3-methyl-1-(pyridin-2-yl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.141913207 u |
| Formula | C21H18N2O |
| InChI | InChI=1S/C21H18N2O/c1-15-18-7-3-4-8-19(18)23(20-9-5-6-14-22-20)21(15)16-10-12-17(24-2)13-11-16/h3-14H,1-2H3 |
| InChIKey | PRHJWUAZABMIME-UHFFFAOYSA-N |
| Molecular Weight | 314.388 g/mol |
| SMILES | C1=CC=C2N(C(C=3C=CC(=CC3)OC)=C(C2=C1)C)C1=CC=CC=N1 |