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Phosphenimidous amide, N'-[2,4,6-tris(1,1-dimethylethyl)phenyl]-N-[[[2,4,6-tris(1,1-dimethylethyl)phenyl]imino]phosphino]-N-[2,4,6-tris(1-methylethyl)phenyl]-, (E,E)-
SpectraBase Compound ID HxketC2mIZq
InChI InChI=1S/C51H81N3P2/c1-31(2)34-25-37(32(3)4)45(38(26-34)33(5)6)54(55-52-43-39(48(13,14)15)27-35(46(7,8)9)28-40(43)49(16,17)18)56-53-44-41(50(19,20)21)29-36(47(10,11)12)30-42(44)51(22,23)24/h25-33H,1-24H3
InChIKey RPBLACAVZXQIOC-UHFFFAOYSA-N
Mol Weight 798.2 g/mol
Molecular Formula C51H81N3P2
Exact Mass 797.590574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYNDl32FWCi
Name Phosphenimidous amide, N'-[2,4,6-tris(1,1-dimethylethyl)phenyl]-N-[[[2,4,6-tris(1,1-dimethylethyl)phenyl]imino]phosphino]-N-[2,4,6-tris(1-methylethyl)phenyl]-, (E,E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 797.590573616 u
Formula C51H81N3P2
InChI InChI=1S/C51H81N3P2/c1-31(2)34-25-37(32(3)4)45(38(26-34)33(5)6)54(55-52-43-39(48(13,14)15)27-35(46(7,8)9)28-40(43)49(16,17)18)56-53-44-41(50(19,20)21)29-36(47(10,11)12)30-42(44)51(22,23)24/h25-33H,1-24H3
InChIKey RPBLACAVZXQIOC-UHFFFAOYSA-N
Molecular Weight 798.178 g/mol
SMILES C1(N(\P=N\C=2C(=CC(=CC2C(C)(C)C)C(C)(C)C)C(C)(C)C)\P=N\C2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)=C(C=C(C=C1C(C)C)C(C)C)C(C)C