| SpectraBase Compound ID | 1FzmVkSW3rc |
|---|---|
| InChI | InChI=1S/C17H16N2O3/c1-22-13-7-8-17-14(9-13)15(10-18-17)16(11-19(20)21)12-5-3-2-4-6-12/h2-10,16,18H,11H2,1H3 |
| InChIKey | RDHOPMDDIHENBS-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 | EQMPvBFnKsi |
|---|---|
| Name | 5-Methoxy-3-(2-nitro-1-phenylethyl)-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/c1-22-13-7-8-17-14(9-13)15(10-18-17)16(11-19(20)21)12-5-3-2-4-6-12/h2-10,16,18H,11H2,1H3 |
| InChIKey | RDHOPMDDIHENBS-UHFFFAOYSA-N |
| SMILES | C=1(C2=C(C=CC(=C2)OC)NC1)C(CN(=O)=O)C=1C=CC=CC1 |