| SpectraBase Spectrum ID |
9dC8wVhfCka |
| Name |
(S)-N-((4-Chlorophenyl)(3,4-difluorophenyl)methyl)-4-methylbenzenesulfonamide |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.055833957 u |
| Formula |
C20H16ClF2NO2S |
| InChI |
InChI=1S/C20H16ClF2NO2S/c1-13-2-9-17(10-3-13)27(25,26)24-20(14-4-7-16(21)8-5-14)15-6-11-18(22)19(23)12-15/h2-12,20,24H,1H3/t20-/m0/s1 |
| InChIKey |
WZRIQQTZFUFCBL-FQEVSTJZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201605244 |
| Molecular Weight |
407.863 g/mol |
| Optical Rotation |
[a]D23 = -16.5 (c = 0.1 g/dL, CH2Cl2) |
| Reported Formula |
C20H16ClF2NO2S |
| SMILES |
N([C@@](C=1C=CC(=CC1)Cl)(C1=CC(=C(C=C1)F)F)[H])S(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-0udi-0090000000-3dc8c7ecfa590e84cf08 |
| Sample Comments |
>99% ee |
| Source of Spectrum |
QE-23-SM53-4aG (DOI: 10.1002/chem.201605244) |
| Wiley ID |
1903676 |
