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[TPRE(CO)(PME3)(5,6-(2-ETA)-7-OXA-BICYCLO-[2.2.1]-HEPT-5-ENE-2,2,3,3-TETRACARBONITRILE)]
SpectraBase Compound ID 8S5tpkGuo2D
InChI InChI=1S/C10H2N4O.C9H9BN6.C3H9P.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;1-4(2)3;1-2;/h7-8H;1-9H;1-3H3;;/q;-1;;;/p+1
InChIKey RXODVUOXVLTCCP-UHFFFAOYSA-O
Mol Weight 697.5 g/mol
Molecular Formula C23H21BN10O2PRe
Exact Mass 698.123714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DO0pYMErnef
Name [TPRE(CO)(PME3)(5,6-(2-ETA)-7-OXA-BICYCLO-[2.2.1]-HEPT-5-ENE-2,2,3,3-TETRACARBONITRILE)]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20BN10O2PRe
InChI InChI=1S/C10H2N4O.C9H9BN6.C3H9P.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;1-4(2)3;1-2;/h7-8H;1-9H;1-3H3;;/q;-1;;;/p+1
InChIKey RXODVUOXVLTCCP-UHFFFAOYSA-O
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 696.468 g/mol
Sample ID 49216
Solvent CD3CN