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[(COD)-IR-(KAPPA(2)-L1)-PPH(3)];MINOR-DIASTEREOMER

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[(COD)-IR-(KAPPA(2)-L1)-PPH(3)];MINOR-DIASTEREOMER
SpectraBase Compound ID 5JU7WSlefWU
InChI InChI=1S/C36H29NO2P.C18H15P.C8H8.Ir/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;/h3-26H,1H2,2H3;1-15H;1-2,7-8H2;/q;;;-2/p+2/t25-,26-;;;/m1.../s1
InChIKey IWSTUUBTZBWLIU-YICTUOAMSA-P
Mol Weight 1099.3 g/mol
Molecular Formula C62H54IrNO2P2
Exact Mass 1099.325903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Xho9oNGdmX
Name [(COD)-IR-(KAPPA(2)-L1)-PPH(3)];MINOR-DIASTEREOMER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H52IrNO2P2
InChI InChI=1S/C36H29NO2P.C18H15P.C8H8.Ir/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;/h3-26H,1H2,2H3;1-15H;1-2,7-8H2;/q;;;-2/p+2/t25-,26-;;;/m1.../s1
InChIKey IWSTUUBTZBWLIU-YICTUOAMSA-P
Literature Reference Author C.A.KIENER,C.SHU,C.INCARVITO,J.F.HARTWIG
Literature Reference Citation J.AM.CHEM.SOC.,125,14272(2003)
Literature Reference DOI 10.1021/ja038319h
Molecular Weight 1097.268 g/mol
Sample ID 35308
Solvent THF-D8