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DIMETHYL-[S-(S),1S,2R]-(+)-1-CHLORO-2-(4-TRIFLUOROMETHYLPHENYL)-2-(PARA-TOLUENESULFINAMIDE)-ETHYLPHOSPHONATE
SpectraBase Compound ID HxufzoSo5Yp
InChI InChI=1S/C18H20ClF3NO4PS/c1-12-4-10-15(11-5-12)29(25)23-16(17(19)28(24,26-2)27-3)13-6-8-14(9-7-13)18(20,21)22/h4-11,16-17,23H,1-3H3/t16-,17-,29?/m1/s1
InChIKey ZZRRHDPYMZOEFJ-GZTSEVDNSA-N
Mol Weight 469.84 g/mol
Molecular Formula C18H20ClF3NO4PS
Exact Mass 469.049128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jmUV1XYOv6
Name DIMETHYL-[S-(S),1S,2R]-(+)-1-CHLORO-2-(4-TRIFLUOROMETHYLPHENYL)-2-(PARA-TOLUENESULFINAMIDE)-ETHYLPHOSPHONATE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20ClF3NO4PS
InChI InChI=1S/C18H20ClF3NO4PS/c1-12-4-10-15(11-5-12)29(25)23-16(17(19)28(24,26-2)27-3)13-6-8-14(9-7-13)18(20,21)22/h4-11,16-17,23H,1-3H3/t16-,17-,29?/m1/s1
InChIKey ZZRRHDPYMZOEFJ-GZTSEVDNSA-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 469.843 g/mol
Solvent CDCl3
Source File Reference UWVN25233