| SpectraBase Compound ID | 2qf44vl68iH |
|---|---|
| InChI | InChI=1S/C16H19NO4S/c1-2-13-6-8-15(9-7-13)21-11-14(18)12-22(19,20)16-5-3-4-10-17-16/h3-10,14,18H,2,11-12H2,1H3 |
| InChIKey | JLRNPYMCBLHNEZ-UHFFFAOYSA-N |
| Mol Weight | 321.39 g/mol |
| Molecular Formula | C16H19NO4S |
| Exact Mass | 321.103479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Lc1CyxDnzgX |
|---|---|
| Name | 1-(4-Ethylphenoxy)-3-(2-pyridinylsulfonyl)-2-propanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.103479266 u |
| Formula | C16H19NO4S |
| InChI | InChI=1S/C16H19NO4S/c1-2-13-6-8-15(9-7-13)21-11-14(18)12-22(19,20)16-5-3-4-10-17-16/h3-10,14,18H,2,11-12H2,1H3 |
| InChIKey | JLRNPYMCBLHNEZ-UHFFFAOYSA-N |
| Molecular Weight | 321.391 g/mol |
| SMILES | OC(CS(C=1N=CC=CC1)(=O)=O)COC=1C=CC(CC)=CC1 |