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[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-METHYLIMIDAZOLE)-[2,3,4-ETA(3)-(1-METHOXYMETHYL-1H-BENZENIUM)]-(O-TF)
SpectraBase Compound ID 5oo6dYj6GI8
InChI InChI=1S/2C9H10BN6.2C8H11O.2C4H6N2.2CHF3O3S.2CO.2Re/c2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-9-7-8-5-3-2-4-6-8;2*1-6-3-2-5-4-6;2*2-1(3,4)8(5,6)7;2*1-2;;/h2*1-10H;2*2-6,8H,7H2,1H3;2*2-4H,1H3;2*(H,5,6,7);;;;/q2*-1;;;;;;;;;2*+1/p-2
InChIKey ISEXVUUGQZBEII-UHFFFAOYSA-L
Mol Weight 1561.17 g/mol
Molecular Formula C46H52B2F6N16O10Re2S2
Exact Mass 1562.269908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rs1hhWgzzt
Name [HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-METHYLIMIDAZOLE)-[2,3,4-ETA(3)-(1-METHOXYMETHYL-1H-BENZENIUM)]-(O-TF)
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H52B2F6N16O10Re2S2
InChI InChI=1S/2C9H10BN6.2C8H11O.2C4H6N2.2CHF3O3S.2CO.2Re/c2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-9-7-8-5-3-2-4-6-8;2*1-6-3-2-5-4-6;2*2-1(3,4)8(5,6)7;2*1-2;;/h2*1-10H;2*2-6,8H,7H2,1H3;2*2-4H,1H3;2*(H,5,6,7);;;;/q2*-1;;;;;;;;;2*+1/p-2
InChIKey ISEXVUUGQZBEII-UHFFFAOYSA-L
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 1561.164 g/mol
Sample ID 36735
Solvent Unknown