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[IRH-{PHCHEN=C(ME)-(ORTHO-C6H3OH)}-(ME2CO)-(PPH3)2]-PF6

View entire compound with spectra: 2 NMR

[IRH-{PHCHEN=C(ME)-(ORTHO-C6H3OH)}-(ME2CO)-(PPH3)2]-PF6
SpectraBase Compound ID DHLKX0ljSsL
InChI InChI=1S/2C18H15P.C15H14NO.C3H6O.F6P.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13;1-3(2)4;1-7(2,3,4,5)6;/h2*1-15H;2-8,10,17H,11H2,1H3;1-2H3;;/q;;;;2*-1/p+2
InChIKey TWHLZNQJQCOBLT-UHFFFAOYSA-P
Mol Weight 1146.14390498 g/mol
Molecular Formula C54H52F6IrNO2P3
Exact Mass 1146.274434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bna0go82upb
Name [IRH-{PHCHEN=C(ME)-(ORTHO-C6H3OH)}-(ME2CO)-(PPH3)2]-PF6
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H50F6IrNO2P3
InChI InChI=1S/2C18H15P.C15H14NO.C3H6O.F6P.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13;1-3(2)4;1-7(2,3,4,5)6;/h2*1-15H;2-8,10,17H,11H2,1H3;1-2H3;;/q;;;;2*-1/p+2
InChIKey TWHLZNQJQCOBLT-UHFFFAOYSA-P
Literature Reference Author P.LORENZINI,P.MARCAZZAN,B.O.PATRICK,B.R.JAMES
Literature Reference Citation CAN.J.CHEM.,86,253(2008)
Literature Reference DOI 10.1139/v07-153
Molecular Weight 1144.128 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ46116