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ISOMER-#1
SpectraBase Compound ID 5RevIihOkVr
InChI InChI=1S/C54H65N10O11PS/c1-33(2)64(34(3)4)76(72-25-12-23-55)75-43-28-47(63-31-36(6)49(66)60-53(63)68)73-44(43)29-57-50(61-51-56-24-26-77-51)58-42-27-46(62-30-35(5)48(65)59-52(62)67)74-45(42)32-71-54(37-13-10-9-11-14-37,38-15-19-40(69-7)20-16-38)39-17-21-41(70-8)22-18-39/h9-11,13-22,24,26,30-31,33-34,42-47H,12,25,27-29,32H2,1-8H3,(H,59,65,67)(H,60,66,68)(H2,56,57,58,61)/t42-,43-,44+,45+,46+,47+,76?/m1/s1
InChIKey YEUHIQKMTRYBCA-NFSRNCEQSA-N
Mol Weight 1093.2 g/mol
Molecular Formula C54H65N10O11PS
Exact Mass 1092.429261 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qlZIMsEs8W
Name ISOMER-#2
Compound Number 7I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H65N10O11PS
InChI InChI=1S/C54H65N10O11PS/c1-33(2)64(34(3)4)76(72-25-12-23-55)75-43-28-47(63-31-36(6)49(66)60-53(63)68)73-44(43)29-57-50(61-51-56-24-26-77-51)58-42-27-46(62-30-35(5)48(65)59-52(62)67)74-45(42)32-71-54(37-13-10-9-11-14-37,38-15-19-40(69-7)20-16-38)39-17-21-41(70-8)22-18-39/h9-11,13-22,24,26,30-31,33-34,42-47H,12,25,27-29,32H2,1-8H3,(H,59,65,67)(H,60,66,68)(H2,56,57,58,61)/t42-,43-,44+,45+,46+,47+,76?/m1/s1
InChIKey YEUHIQKMTRYBCA-NFSRNCEQSA-N
Literature Reference Author F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1567(1993)
Literature Reference DOI 10.1039/p19930001567
Solvent CDCl3
Source File Reference UWCS24079