| SpectraBase Compound ID | 8HOneA6hqWD |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)10-6-4-5-9-7-8-14-11(9)10/h4-8,14H,1-3H3 |
| InChIKey | DPQMBHNDQPAOBE-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GEpTUrXn337 |
|---|---|
| Name | 1H-Indole-7-carboxylic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)10-6-4-5-9-7-8-14-11(9)10/h4-8,14H,1-3H3 |
| InChIKey | DPQMBHNDQPAOBE-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C=1NC=2C(=CC=CC2C1)C(=O)OC(C)(C)C |