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[TRANS-ETA-3-(XANTPHOS)PDC(O)CH3]-[CF3SO3]

View entire compound with spectra: 2 NMR

[TRANS-ETA-3-(XANTPHOS)PDC(O)CH3]-[CF3SO3]
SpectraBase Compound ID 6feKkQKk2u2
InChI InChI=1S/C39H32OP2.C2H3O.CHF3O3S.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-2-3;2-1(3,4)8(5,6)7;/h3-28H,1-2H3;1H3;(H,5,6,7);/q;;;-1/p+1
InChIKey MVGKGGQUZHRAJV-UHFFFAOYSA-O
Mol Weight 879.18 g/mol
Molecular Formula C42H37F3O5P2PdS
Exact Mass 878.082384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KeS0xhN0S3n
Name [TRANS-ETA-3-(XANTPHOS)PDC(O)CH3]-[CF3SO3]
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H35F3O5P2PdS
InChI InChI=1S/C39H32OP2.C2H3O.CHF3O3S.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-2-3;2-1(3,4)8(5,6)7;/h3-28H,1-2H3;1H3;(H,5,6,7);/q;;;-1/p+1
InChIKey MVGKGGQUZHRAJV-UHFFFAOYSA-O
Literature Reference Author P.W.N.M.V.LEEUWEN,M.A.ZUIDEVELD,B.H.G.SWENNENHUIS,Z.FREIXA,P .C.J.KAMER,K.GOUBITZ
Literature Reference Citation J.AM.CHEM.SOC.,125,5523(2003)
Literature Reference DOI 10.1021/ja029341y
Molecular Weight 877.160 g/mol
Sample ID 41023
Solvent CD2Cl2