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(1R,2S,3S,4R)-1,4-Bis(benzylidene)amino-1,4-dibenzyl-2,3-bis(diphenylphosphinyl)butane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2S,3S,4R)-1,4-Bis(benzylidene)amino-1,4-dibenzyl-2,3-bis(diphenylphosphinyl)butane
SpectraBase Compound ID IT2KariMGLs
InChI InChI=1S/C56H50N2O2P2/c59-61(49-33-17-5-18-34-49,50-35-19-6-20-36-50)55(53(41-45-25-9-1-10-26-45)57-43-47-29-13-3-14-30-47)56(62(60,51-37-21-7-22-38-51)52-39-23-8-24-40-52)54(42-46-27-11-2-12-28-46)58-44-48-31-15-4-16-32-48/h1-40,43-44,53-56H,41-42H2/b57-43+,58-44+/t53-,54-,55+,56+/m1/s1
InChIKey OPLDHNCBFPTGKS-FHSGUZLVSA-N
Mol Weight 845.0 g/mol
Molecular Formula C56H50N2O2P2
Exact Mass 844.334753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KA3jluvwxZw
Name (1R,2S,3S,4R)-1,4-bis(Benzylidene)amino-1,4-dibenzyl-2,3-bis(diphenylphosphinyl)butane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 844.334752852 u
Formula C56H50N2O2P2
InChI InChI=1S/C56H50N2O2P2/c59-61(49-33-17-5-18-34-49,50-35-19-6-20-36-50)55(53(41-45-25-9-1-10-26-45)57-43-47-29-13-3-14-30-47)56(62(60,51-37-21-7-22-38-51)52-39-23-8-24-40-52)54(42-46-27-11-2-12-28-46)58-44-48-31-15-4-16-32-48/h1-40,43-44,53-56H,41-42H2/b57-43+,58-44+/t53-,54-,55+,56+/m1/s1
InChIKey OPLDHNCBFPTGKS-FHSGUZLVSA-N
Molecular Weight 844.976 g/mol
SMILES [C@@]([C@@](P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)([C@](\N=C\C1=CC=CC=C1)(CC1=CC=CC=C1)[H])[H])(P(=O)(C=1C=CC=CC1)C1=CC=CC=C1)([C@](\N=C\C=1C=CC=CC1)(CC1=CC=CC=C1)[H])[H]