| SpectraBase Compound ID | 6b2K29aSMlT |
|---|---|
| InChI | InChI=1S/C17H21NO2/c1-20-17(19)15-12-18(11-13-7-3-2-4-8-13)16-10-6-5-9-14(15)16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3 |
| InChIKey | KNWOMWABRWXHET-UHFFFAOYSA-N |
| Mol Weight | 271.36 g/mol |
| Molecular Formula | C17H21NO2 |
| Exact Mass | 271.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ih4hIsPXfpD |
|---|---|
| Name | Methyl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.157228918 u |
| Formula | C17H21NO2 |
| InChI | InChI=1S/C17H21NO2/c1-20-17(19)15-12-18(11-13-7-3-2-4-8-13)16-10-6-5-9-14(15)16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3 |
| InChIKey | KNWOMWABRWXHET-UHFFFAOYSA-N |
| Molecular Weight | 271.360 g/mol |
| SMILES | C(N1C2=C(C=CC=C2)C(=C1)C(OC)=O)C1CCCCC1 |