| SpectraBase Compound ID | 3G6X3yKWgAs |
|---|---|
| InChI | InChI=1S/C21H23NO2/c1-15-17-12-8-9-13-18(17)22(20(23)24-21(2,3)4)19(15)14-16-10-6-5-7-11-16/h5-13H,14H2,1-4H3 |
| InChIKey | IKJJXVHKMHHNFF-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C21H23NO2 |
| Exact Mass | 321.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjgedYTWVJw |
|---|---|
| Name | Tert-butyl 2-benzyl-3-methyl-1H-indole-1-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.172878983 u |
| Formula | C21H23NO2 |
| InChI | InChI=1S/C21H23NO2/c1-15-17-12-8-9-13-18(17)22(20(23)24-21(2,3)4)19(15)14-16-10-6-5-7-11-16/h5-13H,14H2,1-4H3 |
| InChIKey | IKJJXVHKMHHNFF-UHFFFAOYSA-N |
| Molecular Weight | 321.420 g/mol |
| SMILES | C1=CC=C2C(=C(CC3=CC=CC=C3)N(C2=C1)C(OC(C)(C)C)=O)C |