| SpectraBase Compound ID | IMKBEUjB3bg |
|---|---|
| InChI | InChI=1S/C16H23NO/c1-4-5-8-13(18)11-15-12(2)17(3)16-10-7-6-9-14(15)16/h6-7,9-10,13,18H,4-5,8,11H2,1-3H3 |
| InChIKey | NCWHTWBYBWTTQU-UHFFFAOYSA-N |
| Mol Weight | 245.37 g/mol |
| Molecular Formula | C16H23NO |
| Exact Mass | 245.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9iDWOX2iJU |
|---|---|
| Name | 1-(1',2'-Dimethyl-1H-indol-3'-yl)-hexan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.177964364 u |
| Formula | C16H23NO |
| InChI | InChI=1S/C16H23NO/c1-4-5-8-13(18)11-15-12(2)17(3)16-10-7-6-9-14(15)16/h6-7,9-10,13,18H,4-5,8,11H2,1-3H3 |
| InChIKey | NCWHTWBYBWTTQU-UHFFFAOYSA-N |
| Molecular Weight | 245.366 g/mol |
| SMILES | C1(=C(N(C)C=2C1=CC=CC2)C)CC(O)CCCC |