| SpectraBase Compound ID | FHDsDnzXVAU |
|---|---|
| InChI | InChI=1S/C22H16Cl5NO4S/c1-12-7-9-14(10-8-12)33(30,31)28-15(11-13-5-3-2-4-6-13)22(29)32-21-19(26)17(24)16(23)18(25)20(21)27/h2-10,15,28H,11H2,1H3 |
| InChIKey | TVWUPOKUWHIUHU-UHFFFAOYSA-N |
| Mol Weight | 567.7 g/mol |
| Molecular Formula | C22H16Cl5NO4S |
| Exact Mass | 564.924268 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIG8JXh3TEh |
|---|---|
| Name | 3-phenyl-N-(p-tolylsulfonyl)-D,L-alanine, pentachlorophenyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H21NO4S |
| InChI | InChI=1S/C22H16Cl5NO4S/c1-12-7-9-14(10-8-12)33(30,31)28-15(11-13-5-3-2-4-6-13)22(29)32-21-19(26)17(24)16(23)18(25)20(21)27/h2-10,15,28H,11H2,1H3 |
| InChIKey | TVWUPOKUWHIUHU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 29705M |
| Solvent | CDCl3 |