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ETA(6)-[CF3C-[N-2,6-(I)PR2C6H3]-NH-(2,6-(I)PR2C6H3)]-MO(CO)3
SpectraBase Compound ID CT97yYoBYya
InChI InChI=1S/C26H35F3N2.3CO.Mo/c1-15(2)19-11-9-12-20(16(3)4)23(19)30-25(26(27,28)29)31-24-21(17(5)6)13-10-14-22(24)18(7)8;3*1-2;/h9-18H,1-8H3,(H,30,31);;;;
InChIKey PCXPKRKOYUTZNQ-UHFFFAOYSA-N
Mol Weight 612.6 g/mol
Molecular Formula C29H35F3MoN2O3
Exact Mass 614.165381 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TpRveEeOQu
Name ETA(6)-[CF3C-[N-2,6-(I)PR2C6H3]-NH-(2,6-(I)PR2C6H3)]-MO(CO)3
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35F3MoN2O3
InChI InChI=1S/C26H35F3N2.3CO.Mo/c1-15(2)19-11-9-12-20(16(3)4)23(19)30-25(26(27,28)29)31-24-21(17(5)6)13-10-14-22(24)18(7)8;3*1-2;/h9-18H,1-8H3,(H,30,31);;;;
InChIKey PCXPKRKOYUTZNQ-UHFFFAOYSA-N
Literature Reference Author R.T.BOERE,V.KLASSEN,G.WOLMERSHAEUSER
Literature Reference Citation CAN.J.CHEM.,78,583(2000)
Literature Reference DOI 10.1139/cjc-78-5-583
Solvent CDCl3
Source File Reference UWPA998