| SpectraBase Compound ID | C7drTiWggUP |
|---|---|
| InChI | InChI=1S/C17H16N2O3/c1-22-13-8-6-12(7-9-13)16(11-19(20)21)15-10-18-17-5-3-2-4-14(15)17/h2-10,16,18H,11H2,1H3 |
| InChIKey | BWZOHFWHBDXMRA-UHFFFAOYSA-N |
| Mol Weight | 296.33 g/mol |
| Molecular Formula | C17H16N2O3 |
| Exact Mass | 296.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EdxX1jBkthg |
|---|---|
| Name | 3-(1-(4-Methoxyphenyl)-2-nitroethyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.116092380 u |
| Formula | C17H16N2O3 |
| InChI | InChI=1S/C17H16N2O3/c1-22-13-8-6-12(7-9-13)16(11-19(20)21)15-10-18-17-5-3-2-4-14(15)17/h2-10,16,18H,11H2,1H3 |
| InChIKey | BWZOHFWHBDXMRA-UHFFFAOYSA-N |
| SMILES | C1(=CNC2=C1C=CC=C2)C(CN(=O)=O)C=1C=CC(=CC1)OC |