![2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, p-tert-butylbenzoate](/api/spectrum/AuB1lXhtRNk/structure.png?h=300&w=458 "2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, p-tert-butylbenzoate")
| SpectraBase Compound ID | 1tIjt6GKQbD |
|---|---|
| InChI | InChI=1S/C21H25ClO4S2/c1-21(2,3)17-6-4-16(5-7-17)20(23)26-12-13-27-14-15-28(24,25)19-10-8-18(22)9-11-19/h4-11H,12-15H2,1-3H3 |
| InChIKey | FFHWBNDONDFXKS-UHFFFAOYSA-N |
| Mol Weight | 441.0 g/mol |
| Molecular Formula | C21H25ClO4S2 |
| Exact Mass | 440.088279 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuB1lXhtRNk |
|---|---|
| Name | 2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, p-tert-butylbenzoate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H25ClO4S2 |
| InChI | InChI=1S/C21H25ClO4S2/c1-21(2,3)17-6-4-16(5-7-17)20(23)26-12-13-27-14-15-28(24,25)19-10-8-18(22)9-11-19/h4-11H,12-15H2,1-3H3 |
| InChIKey | FFHWBNDONDFXKS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55797M |
| Solvent | CDCl3 |