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(NC9H6O)P(O2(3,5-TERT.-BUTYL)2C6H2)((O-2,4-O2-3,5(TERT.-BUTYL)2C6H2)2CH2)
SpectraBase Compound ID 7k0XDZ5sPfA
InChI InChI=1S/C52H68NO5P/c1-47(2,3)35-26-33-25-34-27-36(48(4,5)6)29-39(51(13,14)15)45(34)57-59(56-44(33)38(28-35)50(10,11)12,54-41-23-19-21-32-22-20-24-53-43(32)41)55-42-31-37(49(7,8)9)30-40(46(42)58-59)52(16,17)18/h19-24,26-31H,25H2,1-18H3
InChIKey XXWZAJJNLAFHAP-UHFFFAOYSA-N
Mol Weight 818.1 g/mol
Molecular Formula C52H68NO5P
Exact Mass 817.483511 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ckN3v4xIp1
Name (NC9H6O)P(O2(3,5-TERT.-BUTYL)2C6H2)((O-2,4-O2-3,5(TERT.-BUTYL)2C6H2)2CH2)
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H68NO5P
InChI InChI=1S/C52H68NO5P/c1-47(2,3)35-26-33-25-34-27-36(48(4,5)6)29-39(51(13,14)15)45(34)57-59(56-44(33)38(28-35)50(10,11)12,54-41-23-19-21-32-22-20-24-53-43(32)41)55-42-31-37(49(7,8)9)30-40(46(42)58-59)52(16,17)18/h19-24,26-31H,25H2,1-18H3
InChIKey XXWZAJJNLAFHAP-UHFFFAOYSA-N
Literature Reference Author M.A.SAID,M.PUELM,R.HERBST-IRMER,K.C.K.SWAMY
Literature Reference Citation J.AM.CHEM.SOC.,118,9841(1996)
Literature Reference DOI 10.1021/ja960554v
Solvent CDCl3
Source File Reference UWLU53680