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[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[5,6-ETA(2)-(3-METHYLANISOLE)];MAJOR+MINOR
SpectraBase Compound ID 1G35dTQroiT
InChI InChI=1S/2C9H10BN6.2C8H8O.2C7H12N2.2CO.2Re/c2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-7-4-3-5-8(6-7)9-2;2*1-2-3-5-9-6-4-8-7-9;2*1-2;;/h2*1-10H;2*4,6H,1-2H3;2*4,6-7H,2-3,5H2,1H3;;;;/q2*-1;;;;;;;2*+1
InChIKey FNWNWDNQTBRCRO-UHFFFAOYSA-N
Mol Weight 1341.2 g/mol
Molecular Formula C50H58B2N16O4Re2
Exact Mass 1342.412809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DtkinN0Ugqa
Name [HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[5,6-ETA(2)-(3-METHYLANISOLE)];MAJOR+MINOR
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H58B2N16O4Re2
InChI InChI=1S/2C9H10BN6.2C8H8O.2C7H12N2.2CO.2Re/c2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-7-4-3-5-8(6-7)9-2;2*1-2-3-5-9-6-4-8-7-9;2*1-2;;/h2*1-10H;2*4,6H,1-2H3;2*4,6-7H,2-3,5H2,1H3;;;;/q2*-1;;;;;;;2*+1
InChIKey FNWNWDNQTBRCRO-UHFFFAOYSA-N
Literature Reference Author J.M.KEANE,F.DING,M.SABAT,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,126,785(2004)
Literature Reference DOI 10.1021/ja0305860
Molecular Weight 1341.149 g/mol
Sample ID 36728
Solvent ACETONE-D6