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(4R,5R)-N'4,N'5-bis-[2-oxo-1-(4-Methyl-piperazin-1-yl-methyl)-indolin-3-ylidene]-2-(phenoxy)-1,3,2-dioxa-phospholane-4,5-dicarbohydrazide-2-oxide

View entire compound with spectra: 2 NMR

(4R,5R)-N'4,N'5-bis-[2-oxo-1-(4-Methyl-piperazin-1-yl-methyl)-indolin-3-ylidene]-2-(phenoxy)-1,3,2-dioxa-phospholane-4,5-dicarbohydrazide-2-oxide
SpectraBase Compound ID E1tgUBZykL8
InChI InChI=1S/C38H43N10O8P/c1-43-16-20-45(21-17-43)24-47-29-14-8-6-12-27(29)31(37(47)51)39-41-35(49)33-34(56-57(53,55-33)54-26-10-4-3-5-11-26)36(50)42-40-32-28-13-7-9-15-30(28)48(38(32)52)25-46-22-18-44(2)19-23-46/h3-15,33-34H,16-25H2,1-2H3,(H,41,49)(H,42,50)/b39-31-,40-32-/t33-,34-/m1/s1
InChIKey UJODUWQXCYNGDS-JMGCQMQKSA-N
Mol Weight 798.8 g/mol
Molecular Formula C38H43N10O8P
Exact Mass 798.300295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9chIA7TsVko
Name (4R,5R)-N'4,N'5-bis-[2-oxo-1-(4-Methyl-piperazin-1-yl-methyl)-indolin-3-ylidene]-2-(phenoxy)-1,3,2-dioxa-phospholane-4,5-dicarbohydrazide-2-oxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 798.300295375 u
Formula C38H43N10O8P
InChI InChI=1S/C38H43N10O8P/c1-43-16-20-45(21-17-43)24-47-29-14-8-6-12-27(29)31(37(47)51)39-41-35(49)33-34(56-57(53,55-33)54-26-10-4-3-5-11-26)36(50)42-40-32-28-13-7-9-15-30(28)48(38(32)52)25-46-22-18-44(2)19-23-46/h3-15,33-34H,16-25H2,1-2H3,(H,41,49)(H,42,50)/b39-31-,40-32-/t33-,34-/m1/s1
InChIKey UJODUWQXCYNGDS-JMGCQMQKSA-N
Molecular Weight 798.798 g/mol
SMILES C=12N(C(\C(C2=CC=CC1)=N\NC([C@]1([C@@](OP(OC2=CC=CC=C2)(=O)O1)(C(=O)N\N=C\1C2=CC=CC=C2N(C1=O)CN1CCN(CC1)C)[H])[H])=O)=O)CN1CCN(CC1)C