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[TPRE(CO)(MEIM)(4,5-(2-ETA)-2,5-DIMETHYLFURAN)]
SpectraBase Compound ID 6GCavdADPre
InChI InChI=1S/C9H9BN6.C6H7O.C4H6N2.CO.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-5-3-4-6(2)7-5;1-6-3-2-5-4-6;1-2;/h1-9H;3H,1-2H3;2-4H,1H3;;/q-1;;;;+1
InChIKey NSHGOLQXJZKNLD-UHFFFAOYSA-N
Mol Weight 603.5 g/mol
Molecular Formula C20H22BN8O2Re
Exact Mass 604.151629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3hhf0mfiTV
Name [TPRE(CO)(MEIM)(4,5-(2-ETA)-2,5-DIMETHYLFURAN)]
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22BN8O2Re
InChI InChI=1S/C9H9BN6.C6H7O.C4H6N2.CO.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-5-3-4-6(2)7-5;1-6-3-2-5-4-6;1-2;/h1-9H;3H,1-2H3;2-4H,1H3;;/q-1;;;;+1
InChIKey NSHGOLQXJZKNLD-UHFFFAOYSA-N
Literature Reference Author L.A.FRIEDMAN,M.SABAT,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,124,7395(2002)
Literature Reference DOI 10.1021/ja020137k
Molecular Weight 603.464 g/mol
Sample ID 49230
Solvent CD3CN