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(4R,5R)-N'4,N'5-bis-[2-oxo-1-(Piperidin-1-yl-methyl)-indolin-3-ylidene]-2-(4-nitrophenoxy)-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-(Piperidin-1-yl-methyl)-indolin-3-ylidene]-2-(4-nitrophenoxy)-1,3,2-dioxa-phospholane-4,5-dicarbohydrazide-2-oxide
SpectraBase Compound ID 8KHIS8f70M6
InChI InChI=1S/C38H40N9O10P/c48-35(41-39-31-27-11-3-5-13-29(27)45(37(31)50)23-43-19-7-1-8-20-43)33-34(57-58(54,56-33)55-26-17-15-25(16-18-26)47(52)53)36(49)42-40-32-28-12-4-6-14-30(28)46(38(32)51)24-44-21-9-2-10-22-44/h3-6,11-18,33-34H,1-2,7-10,19-24H2,(H,41,48)(H,42,49)/b39-31-,40-32-/t33-,34-/m1/s1
InChIKey HNIRVXZLYYTXRY-JMGCQMQKSA-N
Mol Weight 813.8 g/mol
Molecular Formula C38H40N9O10P
Exact Mass 813.263576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AO95O55X0W8
Name (4R,5R)-N'4,N'5-bis-[2-oxo-1-(Piperidin-1-yl-methyl)-indolin-3-ylidene]-2-(4-nitrophenoxy)-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 813.263575512 u
Formula C38H40N9O10P
InChI InChI=1S/C38H40N9O10P/c48-35(41-39-31-27-11-3-5-13-29(27)45(37(31)50)23-43-19-7-1-8-20-43)33-34(57-58(54,56-33)55-26-17-15-25(16-18-26)47(52)53)36(49)42-40-32-28-12-4-6-14-30(28)46(38(32)51)24-44-21-9-2-10-22-44/h3-6,11-18,33-34H,1-2,7-10,19-24H2,(H,41,48)(H,42,49)/b39-31-,40-32-/t33-,34-/m1/s1
InChIKey HNIRVXZLYYTXRY-JMGCQMQKSA-N
Molecular Weight 813.765 g/mol
SMILES C=12N(C(\C(C2=CC=CC1)=N\NC([C@]1([C@@](OP(OC2=CC=C(C=C2)N(=O)=O)(=O)O1)(C(=O)N\N=C\1C2=CC=CC=C2N(C1=O)CN1CCCCC1)[H])[H])=O)=O)CN1CCCCC1