| SpectraBase Compound ID | LbBcjtSmJVG |
|---|---|
| InChI | InChI=1S/C13H9N3O2/c17-16(18)12-6-3-8-14-13(12)15-9-7-10-4-1-2-5-11(10)15/h1-9H |
| InChIKey | NTDRRDLTNAZFSY-UHFFFAOYSA-N |
| Mol Weight | 239.23 g/mol |
| Molecular Formula | C13H9N3O2 |
| Exact Mass | 239.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DhJl1OWF4i |
|---|---|
| Name | 1-(3-Nitropyridin-2-yl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.069476540 u |
| Formula | C13H9N3O2 |
| InChI | InChI=1S/C13H9N3O2/c17-16(18)12-6-3-8-14-13(12)15-9-7-10-4-1-2-5-11(10)15/h1-9H |
| InChIKey | NTDRRDLTNAZFSY-UHFFFAOYSA-N |
| Molecular Weight | 239.234 g/mol |
| SMILES | C=1(N2C=CC3=C2C=CC=C3)C(N(=O)=O)=CC=CN1 |