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[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[5,6-ETA(2)-(2H-ANISOLIUM)]]-(O-TF)
SpectraBase Compound ID 3JQIaaBb7Bz
InChI InChI=1S/C9H10BN6.C7H12N2.C7H7O.CHF3O3S.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;1-8-7-5-3-2-4-6-7;2-1(3,4)8(5,6)7;1-2;/h1-10H;4,6-7H,2-3,5H2,1H3;2-3H,5H2,1H3;(H,5,6,7);;/q-1;;+1;;;+1/p-1
InChIKey SSENFEJNSGZALZ-UHFFFAOYSA-M
Mol Weight 806.62 g/mol
Molecular Formula C25H28BF3N8O5ReS
Exact Mass 807.150604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4w17zN4YwYP
Name [HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[5,6-ETA(2)-(2H-ANISOLIUM)]]-(O-TF)
Compound Number 4H-3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28BF3N8O5ReS
InChI InChI=1S/C9H10BN6.C7H12N2.C7H7O.CHF3O3S.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;1-8-7-5-3-2-4-6-7;2-1(3,4)8(5,6)7;1-2;/h1-10H;4,6-7H,2-3,5H2,1H3;2-3H,5H2,1H3;(H,5,6,7);;/q-1;;+1;;;+1/p-1
InChIKey SSENFEJNSGZALZ-UHFFFAOYSA-M
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 806.620 g/mol
Sample ID 36727
Solvent ACETONE-D6