| SpectraBase Compound ID | 1SS9XTxOewf |
|---|---|
| InChI | InChI=1S/C11H13O2.C9H9BN6.C7H12N2.CHF3O3S.CO.Re/c1-9(12)3-4-10-5-7-11(13-2)8-6-10;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;/h5,7,10H,3-4H2,1-2H3;1-9H;4,6-7H,2-3,5H2,1H3;(H,5,6,7);;/q+1;;;;;/p-1/t10-;;;;;/m1...../s1 |
| InChIKey | HGEFXFQRMAOFHE-CVDDZGRDSA-M |
| Mol Weight | 876.71 g/mol |
| Molecular Formula | C29H34BF3N8O6ReS |
| Exact Mass | 877.192469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmatvkfABxn |
|---|---|
| Name | MAJOR-DIASTEREOMER |
| Compound Number | 29A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34BF3N8O6ReS |
| InChI | InChI=1S/C11H13O2.C9H9BN6.C7H12N2.CHF3O3S.CO.Re/c1-9(12)3-4-10-5-7-11(13-2)8-6-10;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;/h5,7,10H,3-4H2,1-2H3;1-9H;4,6-7H,2-3,5H2,1H3;(H,5,6,7);;/q+1;;;;;/p-1/t10-;;;;;/m1...../s1 |
| InChIKey | HGEFXFQRMAOFHE-CVDDZGRDSA-M |
| Literature Reference Author | P.L.SMITH,J.M.KEANE,S.E.SHANKMAN,M.D.CHORIDA,W.D.HARMAN |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,15543(2004) |
| Literature Reference DOI | 10.1021/ja047054j |
| Molecular Weight | 876.711 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU34819 |