SpectraBase Spectrum ID |
326CddBdOnm |
Name |
3-(1,1-Difluoro-2-oxo-4-phenyl-butyl)-1,1-dioxo-2,3-dihydro-1H-1lambda(6)-benzo[d]isothiazole-3-carboxylic acid ethyl ester |
Alternate Name(s) |
Ethyl 3-(1,1-difluoro-2-oxo-4-phenylbutyl)-2,3-dihydrobenzo[d]isothiazole-3-carboxylate 1,1-dioxide |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H19F2NO5S |
InChI |
InChI=1S/C20H19F2NO5S/c1-2-28-18(25)19(15-10-6-7-11-16(15)29(26,27)23-19)20(21,22)17(24)13-12-14-8-4-3-5-9-14/h3-11,23H,2,12-13H2,1H3 |
InChIKey |
BVHSSTPOXNBPRR-UHFFFAOYSA-N |
Literature Reference DOI |
10.1039/C5OB01895A |
Molecular Weight |
423.431 g/mol |
SMILES |
N1S(c2ccccc2C1(C(C(CCc1ccccc1)=O)(F)F)C(OCC)=O)(=O)=O |
SPLASH |
splash10-0536-5912100000-4b39f236972073e24404 |
Source of Spectrum |
F5-13-10968/SM12-8g |
Wiley ID |
1802082 |