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(4R,5R)-N'4,N'5-BIS-[2-OXO-1-(PIPERIDIN-1-YL-METHYL)-INDOLIN-3-YLIDENE]-2-(4-CHLOROPHENOXY)-1,3,2-DIOXA-PHOSPHOLANE-4,5-DICARBOHYDRAZIDE-2-OXIDE
SpectraBase Compound ID 9gIW97BgHTQ
InChI InChI=1S/C38H40ClN8O8P/c39-25-15-17-26(18-16-25)53-56(52)54-33(35(48)42-40-31-27-11-3-5-13-29(27)46(37(31)50)23-44-19-7-1-8-20-44)34(55-56)36(49)43-41-32-28-12-4-6-14-30(28)47(38(32)51)24-45-21-9-2-10-22-45/h3-6,11-18,33-34H,1-2,7-10,19-24H2,(H,42,48)(H,43,49)/b40-31-,41-32-/t33-,34-/m1/s1
InChIKey APUYWTIWUUSKOA-QLPIUSTFSA-N
Mol Weight 803.2 g/mol
Molecular Formula C38H40ClN8O8P
Exact Mass 802.239525 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZFwGjLk4ay
Name (4R,5R)-N'4,N'5-BIS-[2-OXO-1-(PIPERIDIN-1-YL-METHYL)-INDOLIN-3-YLIDENE]-2-(4-CHLOROPHENOXY)-1,3,2-DIOXA-PHOSPHOLANE-4,5-DICARBOHYDRAZIDE-2-OXIDE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40ClN8O8P
InChI InChI=1S/C38H40ClN8O8P/c39-25-15-17-26(18-16-25)53-56(52)54-33(35(48)42-40-31-27-11-3-5-13-29(27)46(37(31)50)23-44-19-7-1-8-20-44)34(55-56)36(49)43-41-32-28-12-4-6-14-30(28)47(38(32)51)24-45-21-9-2-10-22-45/h3-6,11-18,33-34H,1-2,7-10,19-24H2,(H,42,48)(H,43,49)/b40-31-,41-32-/t33-,34-/m1/s1
InChIKey APUYWTIWUUSKOA-QLPIUSTFSA-N
Literature Reference Author K.S.B.AISWARYA,P.J.RAO,Y.N.SPOORTHY,D.I.BEGUM,L.K.RAVINDRANA TH
Literature Reference Citation J.CHEM.PHARM.RES.,4,8,4052(2012)
Solvent DMSO-D6
Source File Reference UWIR14080