| SpectraBase Compound ID | 35ar3lpJuTT |
|---|---|
| InChI | InChI=1S/C11H12N2O3/c1-16-9-2-3-11-10(6-9)8(7-12-11)4-5-13(14)15/h2-3,6-7,12H,4-5H2,1H3 |
| InChIKey | IBWJUIWLZZLXAK-UHFFFAOYSA-N |
| Mol Weight | 220.23 g/mol |
| Molecular Formula | C11H12N2O3 |
| Exact Mass | 220.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BraYSTfsVdG |
|---|---|
| Name | 5-Methoxy-3-(2-nitroethyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.084792251 u |
| Formula | C11H12N2O3 |
| InChI | InChI=1S/C11H12N2O3/c1-16-9-2-3-11-10(6-9)8(7-12-11)4-5-13(14)15/h2-3,6-7,12H,4-5H2,1H3 |
| InChIKey | IBWJUIWLZZLXAK-UHFFFAOYSA-N |
| Molecular Weight | 220.228 g/mol |
| SMILES | C(N(=O)=O)CC=1C2=C(C=CC(=C2)OC)NC1 |