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DIMETHYL-[S-(S),1S,2R]-(-)-1-CHLORO-2-(4-NITROPHENYL)-2-(PARA-TOLUENESULFINAMIDE)-ETHYLPHOSPHONATE
SpectraBase Compound ID 5ZmHWQlrGNm
InChI InChI=1S/C17H20ClN2O6PS/c1-12-4-10-15(11-5-12)28(24)19-16(17(18)27(23,25-2)26-3)13-6-8-14(9-7-13)20(21)22/h4-11,16-17,19H,1-3H3/t16-,17-,28?/m1/s1
InChIKey NCOZXEOVVYEQHT-CYINIFOASA-N
Mol Weight 446.84 g/mol
Molecular Formula C17H20ClN2O6PS
Exact Mass 446.046822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ6uSt0NEBq
Name DIMETHYL-[S-(S),1S,2R]-(-)-1-CHLORO-2-(4-NITROPHENYL)-2-(PARA-TOLUENESULFINAMIDE)-ETHYLPHOSPHONATE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20ClN2O6PS
InChI InChI=1S/C17H20ClN2O6PS/c1-12-4-10-15(11-5-12)28(24)19-16(17(18)27(23,25-2)26-3)13-6-8-14(9-7-13)20(21)22/h4-11,16-17,19H,1-3H3/t16-,17-,28?/m1/s1
InChIKey NCOZXEOVVYEQHT-CYINIFOASA-N
Literature Reference Author F.A.DAVIS,Y.WU,H.YAN,W.MCCOULL,K.R.PRASAD
Literature Reference Citation J.ORG.CHEM.,68,2410(2003)
Literature Reference DOI 10.1021/jo020707z
Molecular Weight 446.842 g/mol
Solvent CDCl3
Source File Reference UWVN25232