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2-[(5-CHLORO-2-METHOXYPHENYL)-SULFONYL-(2-FLUOROALLYL)-AMINO]-N-(3,4-DIFLUOROBENZYL)-4-PENTENAMIDE
SpectraBase Compound ID JLYiR2DopEb
InChI InChI=1S/C22H22ClF3N2O4S/c1-4-5-19(22(29)27-12-15-6-8-17(25)18(26)10-15)28(13-14(2)24)33(30,31)21-9-7-16(23)11-20(21)32-3/h4,6-11,19H,1-2,5,12-13H2,3H3,(H,27,29)
InChIKey DYYFKYSUBWZLAI-UHFFFAOYSA-N
Mol Weight 502.94 g/mol
Molecular Formula C22H22ClF3N2O4S
Exact Mass 502.094091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Hz9vFa5T8Y
Name 2-[(5-CHLORO-2-METHOXYPHENYL)-SULFONYL-(2-FLUOROALLYL)-AMINO]-N-(3,4-DIFLUOROBENZYL)-4-PENTENAMIDE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22ClF3N2O4S
InChI InChI=1S/C22H22ClF3N2O4S/c1-4-5-19(22(29)27-12-15-6-8-17(25)18(26)10-15)28(13-14(2)24)33(30,31)21-9-7-16(23)11-20(21)32-3/h4,6-11,19H,1-2,5,12-13H2,3H3,(H,27,29)
InChIKey DYYFKYSUBWZLAI-UHFFFAOYSA-N
Literature Reference Author V.D.MATTEIS,F.L.V.DELFT,J.TIEBES,F.P.J.T.RUTJES
Literature Reference Citation EUR.J.ORG.CHEM.,1166(2006)
Molecular Weight 502.936 g/mol
Sample ID 31973
Solvent CDCl3