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2-(FLUORENYL-9-METHOXYCARBONYLOXY-N-BENZYLGLYCYL)-AMINO-5-CYANO-6-(4'-FLUOROPHENYL)-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIETHYLESTER

View entire compound with spectra: 2 NMR

2-(FLUORENYL-9-METHOXYCARBONYLOXY-N-BENZYLGLYCYL)-AMINO-5-CYANO-6-(4'-FLUOROPHENYL)-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID DWRF1MMUepX
InChI InChI=1S/2C40H35FN3O8PS/c2*1-3-49-53(47,50-4-2)37-38(54)33(22-42)36(27-18-20-28(41)21-19-27)51-39(37)43-35(45)24-44(23-26-12-6-5-7-13-26)52-40(46)48-25-34-31-16-10-8-14-29(31)30-15-9-11-17-32(30)34/h2*5-21,34H,3-4,23-25H2,1-2H3,(H,43,45)
InChIKey XRMXUDGFIRKXHA-UHFFFAOYSA-N
Mol Weight 1535.5 g/mol
Molecular Formula C80H70F2N6O16P2S2
Exact Mass 1534.373303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kcCVapl0mQ
Name 2-(FLUORENYL-9-METHOXYCARBONYLOXY-N-BENZYLGLYCYL)-AMINO-5-CYANO-6-(4'-FLUOROPHENYL)-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 21.3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H70F2N6O16P2S2
InChI InChI=1S/2C40H35FN3O8PS/c2*1-3-49-53(47,50-4-2)37-38(54)33(22-42)36(27-18-20-28(41)21-19-27)51-39(37)43-35(45)24-44(23-26-12-6-5-7-13-26)52-40(46)48-25-34-31-16-10-8-14-29(31)30-15-9-11-17-32(30)34/h2*5-21,34H,3-4,23-25H2,1-2H3,(H,43,45)
InChIKey XRMXUDGFIRKXHA-UHFFFAOYSA-N
Literature Reference Author D.U.HAHN,R.NEIDLEIN
Literature Reference Citation HETEROCYCLES,50,1041(1999)
Literature Reference DOI 10.3987/COM-98-S(H)108
Molecular Weight 1535.531 g/mol
Solvent CDCl3
Source File Reference UWRU10250