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[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[ETA(2)-BENZENE]
SpectraBase Compound ID EAhaxK1zgV5
InChI InChI=1S/C9H10BN6.C7H12N2.C6H4.CO.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-3-5-9-6-4-8-7-9;1-2-4-6-5-3-1;1-2;/h1-10H;4,6-7H,2-3,5H2,1H3;1-4H;;/q-1;;;;+1
InChIKey BAMDASXFXIBQOL-UHFFFAOYSA-N
Mol Weight 626.5 g/mol
Molecular Formula C23H25BN8ORe
Exact Mass 627.18019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBHu883te9x
Name [HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[ETA(2)-BENZENE]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25BN8ORe
InChI InChI=1S/C9H10BN6.C7H12N2.C6H4.CO.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-3-5-9-6-4-8-7-9;1-2-4-6-5-3-1;1-2;/h1-10H;4,6-7H,2-3,5H2,1H3;1-4H;;/q-1;;;;+1
InChIKey BAMDASXFXIBQOL-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 626.522 g/mol
Sample ID 36724
Solvent ACETONE-D6