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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

View entire compound with spectra: 1 MS (GC)

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
SpectraBase Compound ID JFXRfViJl0C
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
Mol Weight 423.43 g/mol
Molecular Formula C20H19F2NO5S
Exact Mass 423.0952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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