| SpectraBase Compound ID | 4yYZMmB81X0 |
|---|---|
| InChI | InChI=1S/C20H21NO2/c1-3-4-14-21-17-13-9-8-12-16(17)18(20(22)23-2)19(21)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3 |
| InChIKey | CEDDRKAGPFJUPJ-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 | DdENL73U49v |
|---|---|
| Name | Methyl 1-butyl-2-phenyl-1H-indole-3-carboxylate |
| 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/c1-3-4-14-21-17-13-9-8-12-16(17)18(20(22)23-2)19(21)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3 |
| InChIKey | CEDDRKAGPFJUPJ-UHFFFAOYSA-N |
| Molecular Weight | 307.393 g/mol |
| SMILES | C=1(N(C=2C=CC=CC2C1C(=O)OC)CCCC)C=1C=CC=CC1 |