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IEESAMLBAZOZSD-MRSNTFPNSA-O

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IEESAMLBAZOZSD-MRSNTFPNSA-O
SpectraBase Compound ID II4wT2MiSiA
InChI InChI=1S/C28H20O2.2C9H21P.CO.ClH.Ir/c29-28(27(24-17-9-3-10-18-24)25-19-11-4-12-20-25)30-21-26(22-13-5-1-6-14-22)23-15-7-2-8-16-23;2*1-7(2)10(8(3)4)9(5)6;1-2;;/h1-15,17-20,27H;2*7-9H,1-6H3;;1H;/q;;;;;-1/p+1/i;;;1+1;;
InChIKey IEESAMLBAZOZSD-MRSNTFPNSA-O
Mol Weight 967.6 g/mol
Molecular Formula C4613CH64ClIrO3P2
Exact Mass 967.368201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51tmwnK9HYu
Name IEESAMLBAZOZSD-MRSNTFPNSA-O
Compound Number 12(13)CO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4613CH62ClIrO3P2
InChI InChI=1S/C28H20O2.2C9H21P.CO.ClH.Ir/c29-28(27(24-17-9-3-10-18-24)25-19-11-4-12-20-25)30-21-26(22-13-5-1-6-14-22)23-15-7-2-8-16-23;2*1-7(2)10(8(3)4)9(5)6;1-2;;/h1-15,17-20,27H;2*7-9H,1-6H3;;1H;/q;;;;;-1/p+1/i;;;1+1;;
InChIKey IEESAMLBAZOZSD-MRSNTFPNSA-O
Literature Reference Author D.B.GROTJAHN,H.C.LO
Literature Reference Citation J.AM.CHEM.SOC.,118,2097(1996)
Literature Reference DOI 10.1021/ja9532392
Molecular Weight 965.620 g/mol
Sample ID 56495
Solvent CDCl3