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[S-(S),1S,2R]-(+)-[1-CHLORO-2-(4-METHOXYPHENYL)-2-(PARA-TOLUENESULFINAMIDE)-ETHYL]-PHOSPHONIC-ACID-MONOMETHYLESTER
SpectraBase Compound ID 6I8Jb0emrxx
InChI InChI=1S/C17H21ClNO5PS/c1-12-4-10-15(11-5-12)26(22)19-16(17(18)25(20,21)24-3)13-6-8-14(23-2)9-7-13/h4-11,16-17,19H,1-3H3,(H,20,21)/t16-,17-,26?/m1/s1
InChIKey AQPNIBBSMPNHTC-GTKFHXFRSA-N
Mol Weight 417.84 g/mol
Molecular Formula C17H21ClNO5PS
Exact Mass 417.056659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 72jc5iq1M6G
Name [S-(S),1S,2R]-(+)-[1-CHLORO-2-(4-METHOXYPHENYL)-2-(PARA-TOLUENESULFINAMIDE)-ETHYL]-PHOSPHONIC-ACID-MONOMETHYLESTER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20ClNO5PS
InChI InChI=1S/C17H21ClNO5PS/c1-12-4-10-15(11-5-12)26(22)19-16(17(18)25(20,21)24-3)13-6-8-14(23-2)9-7-13/h4-11,16-17,19H,1-3H3,(H,20,21)/t16-,17-,26?/m1/s1
InChIKey AQPNIBBSMPNHTC-GTKFHXFRSA-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 416.836 g/mol
Solvent CD3OD
Source File Reference UWVN25237