| SpectraBase Compound ID | 5M3qPmxgtbT |
|---|---|
| InChI | InChI=1S/C20H21NO/c1-3-4-14-21-15(2)19(17-12-8-9-13-18(17)21)20(22)16-10-6-5-7-11-16/h5-13H,3-4,14H2,1-2H3 |
| InChIKey | QTRGMSVSQQYNID-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C20H21NO |
| Exact Mass | 291.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsWtmvGvtLq |
|---|---|
| Name | 3-Benzoyl-1-butyl-2-methylindole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.162314299 u |
| Formula | C20H21NO |
| InChI | InChI=1S/C20H21NO/c1-3-4-14-21-15(2)19(17-12-8-9-13-18(17)21)20(22)16-10-6-5-7-11-16/h5-13H,3-4,14H2,1-2H3 |
| InChIKey | QTRGMSVSQQYNID-UHFFFAOYSA-N |
| SMILES | C=1(C=2C(N(C1C)CCCC)=CC=CC2)C(C1=CC=CC=C1)=O |