![#2A;ENDO-[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[4-BETA-(3-OXO-CYCLOPENTYL)-5-ALPHA,6-ALPHA-ETA(2)-(4H-ANISOLIUM)]]-(O-TF);MAJOR-DIASTEREO](/api/spectrum/CNzNjigvJhP/structure.png?h=300&w=458 "#2A;ENDO-[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[4-BETA-(3-OXO-CYCLOPENTYL)-5-ALPHA,6-ALPHA-ETA(2)-(4H-ANISOLIUM)]]-(O-TF);MAJOR-DIASTEREO")
| SpectraBase Compound ID | I3zkMXGIE3n |
|---|---|
| InChI | InChI=1S/C12H13O2.C9H10BN6.C7H12N2.CHF3O3S.CO.Re/c1-14-12-6-3-9(4-7-12)10-2-5-11(13)8-10;1-4-11-14(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;2-1(3,4)8(5,6)7;1-2;/h3,6,9-10H,2,5,8H2,1H3;1-10H;4,6-7H,2-3,5H2,1H3;(H,5,6,7);;/q+1;-1;;;;+1/p-1/t9-,10+;;;;;/m1...../s1 |
| InChIKey | ZQRHFTTWVJYESF-JGSCXHMSSA-M |
| Mol Weight | 888.7 g/mol |
| Molecular Formula | C30H34BF3N8O6ReS |
| Exact Mass | 889.192469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNzNjigvJhP |
|---|---|
| Name | #2A;ENDO-[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-RE-(CO)-(N-BUTYLIMIDAZOLE)-[4-BETA-(3-OXO-CYCLOPENTYL)-5-ALPHA,6-ALPHA-ETA(2)-(4H-ANISOLIUM)]]-(O-TF);MAJOR-DIASTEREO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H34BF3N8O6ReS |
| InChI | InChI=1S/C12H13O2.C9H10BN6.C7H12N2.CHF3O3S.CO.Re/c1-14-12-6-3-9(4-7-12)10-2-5-11(13)8-10;1-4-11-14(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;2-1(3,4)8(5,6)7;1-2;/h3,6,9-10H,2,5,8H2,1H3;1-10H;4,6-7H,2-3,5H2,1H3;(H,5,6,7);;/q+1;-1;;;;+1/p-1/t9-,10+;;;;;/m1...../s1 |
| InChIKey | ZQRHFTTWVJYESF-JGSCXHMSSA-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 | 888.722 g/mol |
| Sample ID | 36726 |
| Solvent | ACETONE-D6 |