| SpectraBase Compound ID | 7y0GNxFMX4B |
|---|---|
| InChI | InChI=1S/C20H21NO2/c1-3-23-20(22)15(2)19-13-17-11-7-8-12-18(17)21(19)14-16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3 |
| InChIKey | XCVMKTQERLPZHP-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C20H21NO2 |
| Exact Mass | 307.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIII4YQqQbR |
|---|---|
| Name | 2-(1-Benzyl-1H-indol-2-yl)-propionic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.157228918 u |
| Formula | C20H21NO2 |
| InChI | InChI=1S/C20H21NO2/c1-3-23-20(22)15(2)19-13-17-11-7-8-12-18(17)21(19)14-16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3 |
| InChIKey | XCVMKTQERLPZHP-UHFFFAOYSA-N |
| Molecular Weight | 307.393 g/mol |
| SMILES | C1=CC=C2N(C(C(C)C(=O)OCC)=CC2=C1)CC1=CC=CC=C1 |