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#3A;[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-METHYLIMIDAZOLE)-[5,6-ETA(2)-(METHYL-2-[4-(METHOXYMETHYL)-CYCLOHEXA-2,5-DIEN-1-YL]-2-METHYLPROPANOATE]]

View entire compound with spectra: 1 NMR

#3A;[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-METHYLIMIDAZOLE)-[5,6-ETA(2)-(METHYL-2-[4-(METHOXYMETHYL)-CYCLOHEXA-2,5-DIEN-1-YL]-2-METHYLPROPANOATE]]
SpectraBase Compound ID 4kBEcMkzIj9
InChI InChI=1S/2C13H18O3.2C9H10BN6.2C4H6N2.2CO.2Re/c2*1-13(2,12(14)16-4)11-7-5-10(6-8-11)9-15-3;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-6-3-2-5-4-6;2*1-2;;/h2*5,7,10-11H,9H2,1-4H3;2*1-10H;2*2-4H,1H3;;;;/q;;2*-1;;;;;2*+1/t2*10-,11+;;;;;;;;/m11......../s1
InChIKey OENKDDOIMUFHBH-FXXDKHBYSA-N
Mol Weight 1461.3 g/mol
Molecular Formula C54H66B2N16O8Re2
Exact Mass 1462.455067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEid0G1F39l
Name #3A;[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-METHYLIMIDAZOLE)-[5,6-ETA(2)-(METHYL-2-[4-(METHOXYMETHYL)-CYCLOHEXA-2,5-DIEN-1-YL]-2-METHYLPROPANOATE]]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H66B2N16O8Re2
InChI InChI=1S/2C13H18O3.2C9H10BN6.2C4H6N2.2CO.2Re/c2*1-13(2,12(14)16-4)11-7-5-10(6-8-11)9-15-3;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-6-3-2-5-4-6;2*1-2;;/h2*5,7,10-11H,9H2,1-4H3;2*1-10H;2*2-4H,1H3;;;;/q;;2*-1;;;;;2*+1/t2*10-,11+;;;;;;;;/m11......../s1
InChIKey OENKDDOIMUFHBH-FXXDKHBYSA-N
Literature Reference Author F.DING,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,126,13752(2004)
Literature Reference DOI 10.1021/ja047108p
Molecular Weight 1461.254 g/mol
Sample ID 36736
Solvent Unknown