| SpectraBase Compound ID | EOx9U9ZsyXA |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-14-8-4-5-9-17(14)20-13-16(21-15(2)19)12-18-10-6-3-7-11-18/h3-6,8-9,16H,7,10-13H2,1-2H3 |
| InChIKey | XSBUQSOFPGVDKY-UHFFFAOYSA-N |
| Mol Weight | 289.38 g/mol |
| Molecular Formula | C17H23NO3 |
| Exact Mass | 289.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38uHZODfTYD |
|---|---|
| Name | 1-(3,6-Dihydro-1(2H)-pyridinyl)-3-(2-methylphenoxy)-2-propanol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.167793602 u |
| Formula | C17H23NO3 |
| InChI | InChI=1S/C17H23NO3/c1-14-8-4-5-9-17(14)20-13-16(21-15(2)19)12-18-10-6-3-7-11-18/h3-6,8-9,16H,7,10-13H2,1-2H3 |
| InChIKey | XSBUQSOFPGVDKY-UHFFFAOYSA-N |
| SMILES | C(OC1=C(C)C=CC=C1)C(CN1CCC=CC1)OC(C)=O |