[(eta4-Cyclooctadiene)-((S)-2-{2-[(dicyclohexylphosphino)methyl]pyrrolidin-1-yl}benzo[d]oxazole)iridium(I)] Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

SpectraBase Compound ID	3A5nkFbKmip
InChI	InChI=1S/C32H12BF24.C24H35N2OP.C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-11-20(12-4-1)28(21-13-5-2-6-14-21)18-19-10-9-17-26(19)24-25-22-15-7-8-16-23(22)27-24;1-2-4-6-8-7-5-3-1;/h1-12H;7-8,15-16,19-21H,1-6,9-14,17-18H2;1-2,7-8H,3-6H2;/q-1;;;+1/b;;2-1-,8-7-;/t;19-;;/m.0../s1
InChIKey	SFWUYKABHXWWAI-GBRAEKAYSA-N Google Search
Mol Weight	1562.2 g/mol
Molecular Formula	C64H59BF24IrN2OP
Exact Mass	1562.370407 g/mol

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SpectraBase Spectrum ID	3EIN6sPfwiD
Name	[(eta4-Cyclooctadiene)-((S)-2-{2-[(dicyclohexylphosphino)methyl]pyrrolidin-1-yl}benzo[d]oxazole)iridium(I)] Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C64H59BF24IrN2OP
InChI	InChI=1S/C32H12BF24.C24H35N2OP.C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-11-20(12-4-1)28(21-13-5-2-6-14-21)18-19-10-9-17-26(19)24-25-22-15-7-8-16-23(22)27-24;1-2-4-6-8-7-5-3-1;/h1-12H;7-8,15-16,19-21H,1-6,9-14,17-18H2;1-2,7-8H,3-6H2;/q-1;;;+1/b;;2-1-,8-7-;/t;19-;;/m.0../s1
InChIKey	SFWUYKABHXWWAI-GBRAEKAYSA-N
Molecular Weight	1562.152 g/mol
SMILES	C1\C=C/CC\C=C/C1.c1(oc2c(n1)cccc2)N1[C@@](CCC1)(CP(C1CCCCC1)C1CCCCC1)[H].[Ir+].c1([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(cc(c1)C(F)(F)F)C(F)(F)F
SPLASH	splash10-0002-0000009100-ebbf37e862efd9e9da37
Source of Spectrum	H-95-2192-(S)_CN7
Wiley ID	1784247