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(E)-N-(5-tert-butyl-1H-1,3-benzazaphosphol-2-yl)-N-[2',4',6'-trimethyl-3-(2,4,6-trimethylphenyl)-[1,1'-biphenyl]-2-yl]-1-{[2',4',6'-trimethyl-3-(2,4,6-trimethylphenyl)-[1,1'-biphenyl]-2-yl]imino}phosphanamine
SpectraBase Compound ID LgzOSgXH5Nk
InChI InChI=1S/C59H63N3P2/c1-33-24-37(5)52(38(6)25-33)46-18-16-19-47(53-39(7)26-34(2)27-40(53)8)56(46)61-64-62(58-60-50-23-22-45(59(13,14)15)32-51(50)63-58)57-48(54-41(9)28-35(3)29-42(54)10)20-17-21-49(57)55-43(11)30-36(4)31-44(55)12/h16-32,60H,1-15H3
InChIKey BSKJEAWQXRKQEW-UHFFFAOYSA-N
Mol Weight 876.1 g/mol
Molecular Formula C59H63N3P2
Exact Mass 875.449723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dw9ZNlklfpf
Name (E)-N-(5-tert-butyl-1H-1,3-benzazaphosphol-2-yl)-N-[2',4',6'-trimethyl-3-(2,4,6-trimethylphenyl)-[1,1'-biphenyl]-2-yl]-1-{[2',4',6'-trimethyl-3-(2,4,6-trimethylphenyl)-[1,1'-biphenyl]-2-yl]imino}phosphanamine
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 875.449723037 u
Formula C59H63N3P2
InChI InChI=1S/C59H63N3P2/c1-33-24-37(5)52(38(6)25-33)46-18-16-19-47(53-39(7)26-34(2)27-40(53)8)56(46)61-64-62(58-60-50-23-22-45(59(13,14)15)32-51(50)63-58)57-48(54-41(9)28-35(3)29-42(54)10)20-17-21-49(57)55-43(11)30-36(4)31-44(55)12/h16-32,60H,1-15H3
InChIKey BSKJEAWQXRKQEW-UHFFFAOYSA-N
Instrument Name Thermo Electron MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300764
Molecular Weight 876.122 g/mol
SMILES N1C(=PC2=CC(=CC=C12)C(C)(C)C)N(C1=C(C2=C(C)C=C(C)C=C2C)C=CC=C1C1=C(C)C=C(C)C=C1C)\P=N\C1=C(C2=C(C)C=C(C)C=C2C)C=CC=C1C1=C(C)C=C(C)C=C1C
SPLASH splash10-066r-0019060000-6ef27b03bd7a8dabd09d
Source of Spectrum QE-29-SM43-5Benz_tBu (DOI: 10.1002/chem.202300764)
Wiley ID 1910255