John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6SBqJfyCv19 SpectraBase Spectrum ID=2WEIyFr8fh

(accessed ).
DIMETHYL-[S-(S),2S,3R]-(-)-N-(PARA-TOLUENESULFINYL)-3-(PARA-NITROPHENYL)-AZIRIDINE-2-PHOSPHONATE
SpectraBase Compound ID 6SBqJfyCv19
InChI InChI=1S/C17H19N2O6PS/c1-12-4-10-15(11-5-12)27(23)18-16(17(18)26(22,24-2)25-3)13-6-8-14(9-7-13)19(20)21/h4-11,16-17H,1-3H3/t16-,17+,18?,27?/m1/s1
InChIKey LFNGTCKTAASFIP-BCHWLAEXSA-N
Mol Weight 410.38 g/mol
Molecular Formula C17H19N2O6PS
Exact Mass 410.070147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WEIyFr8fh
Name DIMETHYL-[S-(S),2S,3R]-(-)-N-(PARA-TOLUENESULFINYL)-3-(PARA-NITROPHENYL)-AZIRIDINE-2-PHOSPHONATE
Compound Number 22C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N2O6PS
InChI InChI=1S/C17H19N2O6PS/c1-12-4-10-15(11-5-12)27(23)18-16(17(18)26(22,24-2)25-3)13-6-8-14(9-7-13)19(20)21/h4-11,16-17H,1-3H3/t16-,17+,18?,27?/m1/s1
InChIKey LFNGTCKTAASFIP-BCHWLAEXSA-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 410.381 g/mol
Solvent CDCl3
Source File Reference UWVN25244
SpectraBase Batch ID EZTapbvRuSA