| SpectraBase Compound ID | Hmr7LtKiZ6U |
|---|---|
| InChI | InChI=1S/C16H11N3S/c1-2-6-13-12(5-1)11-14(15-7-3-10-20-15)19(13)16-17-8-4-9-18-16/h1-11H |
| InChIKey | WUFFHHPKNHNHKG-UHFFFAOYSA-N |
| Mol Weight | 277.34 g/mol |
| Molecular Formula | C16H11N3S |
| Exact Mass | 277.067369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9se9DK0qdS |
|---|---|
| Name | 1-(Pyrimidin-2-yl)-2-(thiophen-2-yl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.067368540 u |
| Formula | C16H11N3S |
| InChI | InChI=1S/C16H11N3S/c1-2-6-13-12(5-1)11-14(15-7-3-10-20-15)19(13)16-17-8-4-9-18-16/h1-11H |
| InChIKey | WUFFHHPKNHNHKG-UHFFFAOYSA-N |
| Molecular Weight | 277.345 g/mol |
| SMILES | C=1C=C2C(=CC1)N(C1=NC=CC=N1)C(=C2)C=1SC=CC1 |