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[S-(S),2S,3R]-(+)-N-[1-(2-METHYLPROPANE-2-SULFINYL)-3-(4-TRIFLUOROPHENYL)-AZIRIDIN-2-YL]-PHOSPHONIC-ACID

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[S-(S),2S,3R]-(+)-N-[1-(2-METHYLPROPANE-2-SULFINYL)-3-(4-TRIFLUOROPHENYL)-AZIRIDIN-2-YL]-PHOSPHONIC-ACID
SpectraBase Compound ID Ac6aBNAbRdx
InChI InChI=1S/C17H25F3NO4PS/c1-6-24-26(22,25-7-2)15-14(21(15)27(23)16(3,4)5)12-8-10-13(11-9-12)17(18,19)20/h8-11,14-15H,6-7H2,1-5H3/t14-,15+,21?,27?/m1/s1
InChIKey MHYLNHBHIZGJOW-WDEUSEHOSA-N
Mol Weight 427.42 g/mol
Molecular Formula C17H25F3NO4PS
Exact Mass 427.119401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlHJAY3Qm1l
Name [S-(S),2S,3R]-(+)-N-[1-(2-METHYLPROPANE-2-SULFINYL)-3-(4-TRIFLUOROPHENYL)-AZIRIDIN-2-YL]-PHOSPHONIC-ACID
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25F3NO4PS
InChI InChI=1S/C17H25F3NO4PS/c1-6-24-26(22,25-7-2)15-14(21(15)27(23)16(3,4)5)12-8-10-13(11-9-12)17(18,19)20/h8-11,14-15H,6-7H2,1-5H3/t14-,15+,21?,27?/m1/s1
InChIKey MHYLNHBHIZGJOW-WDEUSEHOSA-N
Literature Reference Author F.A.DAVIS,T.RAMACHANDAR,Y.WU
Literature Reference Citation J.ORG.CHEM.,68,6894(2003)
Literature Reference DOI 10.1021/jo030142m
Molecular Weight 427.419 g/mol
Solvent CDCl3
Source File Reference UWMS28297