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[TPRE(CO)(TERT.-BUTYL-NC)(5,6-(2-ETA)-7-OXA-BICYCLO-[2.2.1]-HEPT-5-ENE-2,2,3,3-TETRACARBONITRILE)]
SpectraBase Compound ID 8KHUU4Yb1JS
InChI InChI=1S/C10H2N4O.C9H9BN6.C5H9N.CO.Re/c11-3-9(4-12)7-1-2-8(15-7)10(9,5-13)6-14;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-5(2,3)6-4;1-2;/h7-8H;1-9H;1-3H3;;/q;-1;+1;;+1
InChIKey GBMUWLPTVOAFMH-UHFFFAOYSA-N
Mol Weight 703.5 g/mol
Molecular Formula C25H20BN11O2Re
Exact Mass 704.145201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkugABpOKEQ
Name [TPRE(CO)(TERT.-BUTYL-NC)(5,6-(2-ETA)-7-OXA-BICYCLO-[2.2.1]-HEPT-5-ENE-2,2,3,3-TETRACARBONITRILE)]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H20BN11O2Re
InChI InChI=1S/C10H2N4O.C9H9BN6.C5H9N.CO.Re/c11-3-9(4-12)7-1-2-8(15-7)10(9,5-13)6-14;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-5(2,3)6-4;1-2;/h7-8H;1-9H;1-3H3;;/q;-1;+1;;+1
InChIKey GBMUWLPTVOAFMH-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 703.523 g/mol
Sample ID 49218
Solvent CD3CN