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BHRUMCHETAYWGD-UHFFFAOYSA-P

View entire compound with spectra: 3 NMR

BHRUMCHETAYWGD-UHFFFAOYSA-P
SpectraBase Compound ID 3YpGHLIPiPa
InChI InChI=1S/2C32H12BF24.C26H24P2.C6H6I2.CF3.CO.Ir/c2*34-25(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;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;7-5-3-1-2-4-6(5)8;2-1(3)4;1-2;/h2*1-12H;1-20H,21-22H2;1-4,7-8H;;;/q2*-1;;+2;;;-2/p+2
InChIKey BHRUMCHETAYWGD-UHFFFAOYSA-P
Mol Weight 2746.0 g/mol
Molecular Formula C98H54B2F51I2IrOP2
Exact Mass 2746.074026 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzbCJ0O9mez
Name BHRUMCHETAYWGD-UHFFFAOYSA-P
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C98H52B2F51I2IrOP2
InChI InChI=1S/2C32H12BF24.C26H24P2.C6H6I2.CF3.CO.Ir/c2*34-25(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;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;7-5-3-1-2-4-6(5)8;2-1(3)4;1-2;/h2*1-12H;1-20H,21-22H2;1-4,7-8H;;;/q2*-1;;+2;;;-2/p+2
InChIKey BHRUMCHETAYWGD-UHFFFAOYSA-P
Literature Reference Author P.J.ALBIETZ,B.P.CLEARY,W.PAW,R.EISENBERG
Literature Reference Citation J.AM.CHEM.SOC.,123,12091(2001)
Literature Reference DOI 10.1021/ja016127l
Solvent CD2Cl2
Source File Reference UWSI24000