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[TPRE(CO)(PME3)(4,5-(2-ETA)-2-METHYLFURAN)];MAJOR-DIASTEREOMER

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[TPRE(CO)(PME3)(4,5-(2-ETA)-2-METHYLFURAN)];MAJOR-DIASTEREOMER
SpectraBase Compound ID DWbamdjpIlW
InChI InChI=1S/C9H9BN6.C5H4O.C3H9P.CO.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-5-3-2-4-6-5;1-4(2)3;1-2;/h1-9H;3H,1H3;1-3H3;;/q-1;;;;/p+1
InChIKey ALFGTPWJUYKAMM-UHFFFAOYSA-O
Mol Weight 583.4 g/mol
Molecular Formula C18H23BN6O2PRe
Exact Mass 584.127068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5l0niUwUtO
Name [TPRE(CO)(PME3)(4,5-(2-ETA)-2-METHYLFURAN)];MINOR-DIASTEREOMER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22BN6O2PRe
InChI InChI=1S/C9H9BN6.C5H4O.C3H9P.CO.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-5-3-2-4-6-5;1-4(2)3;1-2;/h1-9H;3H,1H3;1-3H3;;/q-1;;;;/p+1
InChIKey ALFGTPWJUYKAMM-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 582.402 g/mol
Sample ID 49220
Solvent CD3CN