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[TPRE(CO)(MEIM)(4,5-(2-ETA)-2-METHYLFURAN)];MINOR+MAJOR-DIASTEREOMERS

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[TPRE(CO)(MEIM)(4,5-(2-ETA)-2-METHYLFURAN)];MINOR+MAJOR-DIASTEREOMERS
SpectraBase Compound ID 6RbCauJjqnn
InChI InChI=1S/2C9H9BN6.2C5H4O.2C4H6N2.2CO.2Re/c2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-5-3-2-4-6-5;2*1-6-3-2-5-4-6;2*1-2;;/h2*1-9H;2*3H,1H3;2*2-4H,1H3;;;;/q2*-1;;;;;;;2*+1
InChIKey HELSTHGELVYDIX-UHFFFAOYSA-N
Mol Weight 1176.9 g/mol
Molecular Formula C38H38B2N16O4Re2
Exact Mass 1178.256308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52YJPqP8JF3
Name [TPRE(CO)(MEIM)(4,5-(2-ETA)-2-METHYLFURAN)];MINOR+MAJOR-DIASTEREOMERS
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H38B2N16O4Re2
InChI InChI=1S/2C9H9BN6.2C5H4O.2C4H6N2.2CO.2Re/c2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-5-3-2-4-6-5;2*1-6-3-2-5-4-6;2*1-2;;/h2*1-9H;2*3H,1H3;2*2-4H,1H3;;;;/q2*-1;;;;;;;2*+1
InChIKey HELSTHGELVYDIX-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 1176.859 g/mol
Sample ID 49228
Solvent CD3CN