{(eta4-Cycloocta-1,5-diene)-[(S)-2-(2-{[di(tert-butyl)phosphino]methyl}pyrrolidin-1-yl)benzo[d]thiazole]-iridium(I)} Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

SpectraBase Compound ID	41JWwwjZA2U
InChI	InChI=1S/C32H12BF24.C20H31N2PS.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;1-19(2,3)23(20(4,5)6)14-15-10-9-13-22(15)18-21-16-11-7-8-12-17(16)24-18;1-2-4-6-8-7-5-3-1;/h1-12H;7-8,11-12,15H,9-10,13-14H2,1-6H3;1-2,7-8H,3-6H2;/q-1;;;+1/b;;2-1-,8-7-;/t;15-;;/m.0../s1
InChIKey	NHYPSYHUIGLMFQ-GXTNYLODSA-N Google Search
Mol Weight	1526.1 g/mol
Molecular Formula	C60H55BF24IrN2PS
Exact Mass	1526.316263 g/mol

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SpectraBase Spectrum ID	7b5FyYiGFH2
Name	{(eta4-Cycloocta-1,5-diene)-[(S)-2-(2-{[di(tert-butyl)phosphino]methyl}pyrrolidin-1-yl)benzo[d]thiazole]-iridium(I)} Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C60H55BF24IrN2PS
InChI	InChI=1S/C32H12BF24.C20H31N2PS.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;1-19(2,3)23(20(4,5)6)14-15-10-9-13-22(15)18-21-16-11-7-8-12-17(16)24-18;1-2-4-6-8-7-5-3-1;/h1-12H;7-8,11-12,15H,9-10,13-14H2,1-6H3;1-2,7-8H,3-6H2;/q-1;;;+1/b;;2-1-,8-7-;/t;15-;;/m.0../s1
InChIKey	NHYPSYHUIGLMFQ-GXTNYLODSA-N
Molecular Weight	1526.137 g/mol
SMILES	C1\C=C/CC\C=C/C1.c1(sc2c(n1)cccc2)N1[C@](CP(C(C)(C)C)C(C)(C)C)(CCC1)[H].[Ir+].c1([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(cc(C(F)(F)F)c2)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	splash10-03di-0000119000-551a297abbffe6b5ff23
Source of Spectrum	H-95-2191-(S)_CN6
Wiley ID	1784246