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6-OXO-6-LAMBDA(5)-DIBENZO-[D,F]-[1,3,2]-DIOXAPHOSPHEPIN-6-YL-DIETHYL-3-THIENYL-AMINOMETHYL-PHOSPHONATE
SpectraBase Compound ID KlhEc3jP3KJ
InChI InChI=1S/C21H23NO6P2S/c1-3-25-29(23,26-4-2)21(16-13-14-31-15-16)22-30(24)27-19-11-7-5-9-17(19)18-10-6-8-12-20(18)28-30/h5-15,21H,3-4H2,1-2H3,(H,22,24)
InChIKey IBRGYXFQOYGFFK-UHFFFAOYSA-N
Mol Weight 479.42 g/mol
Molecular Formula C21H23NO6P2S
Exact Mass 479.072133 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wbAh3Ed9j6
Name 6-OXO-6-LAMBDA(5)-DIBENZO-[D,F]-[1,3,2]-DIOXAPHOSPHEPIN-6-YL-DIETHYL-3-THIENYL-AMINOMETHYL-PHOSPHONATE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23NO6P2S
InChI InChI=1S/C21H23NO6P2S/c1-3-25-29(23,26-4-2)21(16-13-14-31-15-16)22-30(24)27-19-11-7-5-9-17(19)18-10-6-8-12-20(18)28-30/h5-15,21H,3-4H2,1-2H3,(H,22,24)
InChIKey IBRGYXFQOYGFFK-UHFFFAOYSA-N
Literature Reference Author M.V.N.REDDY,A.BALAKRISHNA,M.A.KUMAR,G.C.S.REDDY,A.U.R.SANKAR ,C.S.REDDY,T.M.KRISH
Literature Reference Citation CHEM.PHARM.BULL.,57,1391(2009)
Literature Reference DOI 10.1248/cpb.57.1391
Solvent DMSO-D6
Source File Reference UWBT3211