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TRANS-[CPRUH2-[[S-(C),S-(P)]-P-(CY)-P-(PH)-PF]]-CF3CO2

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TRANS-[CPRUH2-[[S-(C),S-(P)]-P-(CY)-P-(PH)-PF]]-CF3CO2
SpectraBase Compound ID DfmginxSZht
InChI InChI=1S/C37H39P2.C5H.C2HF3O2.Fe.Ru.2H/c1-5-18-31(19-6-1)38(32-20-7-2-8-21-32)36-27-15-26-35(36)37(29-28-30-16-13-14-17-30)39(33-22-9-3-10-23-33)34-24-11-4-12-25-34;1-2-4-5-3-1;3-2(4,5)1(6)7;;;;/h3-4,9-12,15-16,22-25,31-32,37H,1-2,5-8,18-21,28-29H2;1H;(H,6,7);;;;/q;;;;-2;;/p+1/t37-;;;;;;/m0....../s1
InChIKey HFALUFYNIOXPEY-WYIGRIARSA-O
Mol Weight 880.7 g/mol
Molecular Formula C44H44F3FeO2P2Ru
Exact Mass 881.11614 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rZ0bppKA6O
Name TRANS-[CPRUH2-[[S-(C),S-(P)]-P-(CY)-P-(PH)-PF]]-CF3CO2
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H42F3FeO2P2Ru
InChI InChI=1S/C37H39P2.C5H.C2HF3O2.Fe.Ru.2H/c1-5-18-31(19-6-1)38(32-20-7-2-8-21-32)36-27-15-26-35(36)37(29-28-30-16-13-14-17-30)39(33-22-9-3-10-23-33)34-24-11-4-12-25-34;1-2-4-5-3-1;3-2(4,5)1(6)7;;;;/h3-4,9-12,15-16,22-25,31-32,37H,1-2,5-8,18-21,28-29H2;1H;(H,6,7);;;;/q;;;;-2;;/p+1/t37-;;;;;;/m0....../s1
InChIKey HFALUFYNIOXPEY-WYIGRIARSA-O
Literature Reference Author E.CAYUELA,F.A.JALON,B.R.MANZANO,G.ESPINO,W.WEISSENSTEINER,K. MEREITER
Literature Reference Citation J.AM.CHEM.SOC.,126,7049(2004)
Literature Reference DOI 10.1021/ja031926k
Solvent ACETONE-D6
Source File Reference UWVN31507