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DIETHYL-(1,1A,3,3A,4,7)-HEXAHYDRO-2-[6-(PYRIDINE-2-YL)-METHYLAMINO]-HEXYL]-2H-ISOINDOL-4-PHOSPHONATE-1,3-DIONE
SpectraBase Compound ID GCg464sbgo0
InChI InChI=1S/C24H36N3O5P/c1-3-31-33(30,32-4-2)21-14-11-13-20-22(21)24(29)27(23(20)28)17-10-6-5-8-15-25-18-19-12-7-9-16-26-19/h7,9,11-12,14,16,20-22,25H,3-6,8,10,13,15,17-18H2,1-2H3/t20-,21+,22-/m0/s1
InChIKey NJPDKSDIWWXLJQ-BDTNDASRSA-N
Mol Weight 477.5 g/mol
Molecular Formula C24H36N3O5P
Exact Mass 477.239258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9q66SDUUyWh
Name DIETHYL-(1,1A,3,3A,4,7)-HEXAHYDRO-2-[6-(PYRIDINE-2-YL)-METHYLAMINO]-HEXYL]-2H-ISOINDOL-4-PHOSPHONATE-1,3-DIONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36N3O5P
InChI InChI=1S/C24H36N3O5P/c1-3-31-33(30,32-4-2)21-14-11-13-20-22(21)24(29)27(23(20)28)17-10-6-5-8-15-25-18-19-12-7-9-16-26-19/h7,9,11-12,14,16,20-22,25H,3-6,8,10,13,15,17-18H2,1-2H3/t20-,21+,22-/m0/s1
InChIKey NJPDKSDIWWXLJQ-BDTNDASRSA-N
Literature Reference Author E.VILLEMIN,M.F.HERENT,J.MARCHAND-BRYNAERT
Literature Reference Citation EUR.J.ORG.CHEM.,2012,6165(2012)
Literature Reference DOI 10.1002/ejoc.201200806
Molecular Weight 477.541 g/mol
Solvent CDCl3
Source File Reference UWLU83977