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

View entire compound with spectra: 2 NMR

2-(FLUORENYL-9-METHOXYCARBONYLOXY-N-BENZYLGLYCYL)-AMINO-5-CYANO-6-(4'-CHLOROPHENYL)-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIISOPROPYLESTER
SpectraBase Compound ID 8YSfsExfWFq
InChI InChI=1S/2C42H39ClN3O8PS/c2*1-26(2)53-55(49,54-27(3)4)39-40(56)35(22-44)38(29-18-20-30(43)21-19-29)51-41(39)45-37(47)24-46(23-28-12-6-5-7-13-28)52-42(48)50-25-36-33-16-10-8-14-31(33)32-15-9-11-17-34(32)36/h2*5-21,26-27,36H,23-25H2,1-4H3,(H,45,47)
InChIKey IOLPVVYIEFJUEQ-UHFFFAOYSA-N
Mol Weight 1624.5 g/mol
Molecular Formula C84H78Cl2N6O16P2S2
Exact Mass 1622.376802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSfTgHa7tDk
Name 2-(FLUORENYL-9-METHOXYCARBONYLOXY-N-BENZYLGLYCYL)-AMINO-5-CYANO-6-(4'-CHLOROPHENYL)-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIISOPROPYLESTER
Compound Number 21.2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H78Cl2N6O16P2S2
InChI InChI=1S/2C42H39ClN3O8PS/c2*1-26(2)53-55(49,54-27(3)4)39-40(56)35(22-44)38(29-18-20-30(43)21-19-29)51-41(39)45-37(47)24-46(23-28-12-6-5-7-13-28)52-42(48)50-25-36-33-16-10-8-14-31(33)32-15-9-11-17-34(32)36/h2*5-21,26-27,36H,23-25H2,1-4H3,(H,45,47)
InChIKey IOLPVVYIEFJUEQ-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 1624.547 g/mol
Solvent CDCl3