| SpectraBase Compound ID | FHAWXW3rPAn |
|---|---|
| InChI | InChI=1S/C17H18ClNO3S/c1-11(2)13-4-7-15(8-5-13)23(21,22)19-17-10-14(12(3)20)6-9-16(17)18/h4-11,19H,1-3H3 |
| InChIKey | MDKROOAQKNTBIK-UHFFFAOYSA-N |
| Mol Weight | 351.85 g/mol |
| Molecular Formula | C17H18ClNO3S |
| Exact Mass | 351.069592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 46CcAVDkgI4 |
|---|---|
| Name | 5'-Acetyl-2'-chloro-4-isopropylbenezenesulfonanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.069592315 u |
| Formula | C17H18ClNO3S |
| InChI | InChI=1S/C17H18ClNO3S/c1-11(2)13-4-7-15(8-5-13)23(21,22)19-17-10-14(12(3)20)6-9-16(17)18/h4-11,19H,1-3H3 |
| InChIKey | MDKROOAQKNTBIK-UHFFFAOYSA-N |
| Molecular Weight | 351.848 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)C(C)C)(=O)=O)C=1C(=CC=C(C1)C(C)=O)Cl |