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[TPRE(CO)(TERT.-BUTYL-NC)(2,3-(2-ETA)-(Z)-BUT-2-ENEDIAL)]
SpectraBase Compound ID BigeI3Jyuxz
InChI InChI=1S/C9H9BN6.C5H9N.C4H2O2.CO.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-5(2,3)6-4;5-3-1-2-4-6;1-2;/h1-9H;1-3H3;3-4H;;/q-1;+1;;;+1
InChIKey OQHZWOMVRXQLML-UHFFFAOYSA-N
Mol Weight 591.4 g/mol
Molecular Formula C19H20BN7O3Re
Exact Mass 592.12782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MoGGWqD6zn
Name [TPRE(CO)(TERT.-BUTYL-NC)(2,3-(2-ETA)-(Z)-BUT-2-ENEDIAL)]
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20BN7O3Re
InChI InChI=1S/C9H9BN6.C5H9N.C4H2O2.CO.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-5(2,3)6-4;5-3-1-2-4-6;1-2;/h1-9H;1-3H3;3-4H;;/q-1;+1;;;+1
InChIKey OQHZWOMVRXQLML-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 591.430 g/mol
Sample ID 49219
Solvent CD3CN