| SpectraBase Compound ID | 41QuTPuUkPZ |
|---|---|
| InChI | InChI=1S/C51H60BrN3O4Si3.3C5H.3Fe/c1-60(2,38-53-48(56)43-16-7-8-17-43)33-13-30-51(31-14-34-61(3,4)39-54-49(57)44-18-9-10-19-44,32-15-35-62(5,6)40-55-50(58)45-20-11-12-21-45)46-26-28-47(29-27-46)59-37-42-24-22-41(36-52)23-25-42;3*1-2-4-5-3-1;;;/h16,18,20,22-29H,13-15,30-40H2,1-6H3,(H,53,56)(H,54,57)(H,55,58);3*1H;;; |
| InChIKey | ZXOWUHJETIRQIG-UHFFFAOYSA-N |
| Mol Weight | 1293.9 g/mol |
| Molecular Formula | C66H63BrFe3N3O4Si3 |
| Exact Mass | 1292.135783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KnbQuYHbjBx |
|---|---|
| Name | ZXOWUHJETIRQIG-UHFFFAOYSA-N |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H63BrFe3N3O4Si3 |
| InChI | InChI=1S/C51H60BrN3O4Si3.3C5H.3Fe/c1-60(2,38-53-48(56)43-16-7-8-17-43)33-13-30-51(31-14-34-61(3,4)39-54-49(57)44-18-9-10-19-44,32-15-35-62(5,6)40-55-50(58)45-20-11-12-21-45)46-26-28-47(29-27-46)59-37-42-24-22-41(36-52)23-25-42;3*1-2-4-5-3-1;;;/h16,18,20,22-29H,13-15,30-40H2,1-6H3,(H,53,56)(H,54,57)(H,55,58);3*1H;;; |
| InChIKey | ZXOWUHJETIRQIG-UHFFFAOYSA-N |
| Literature Reference Author | M.C.DANIEL,J.RUIZ,S.NLATE,J.C.BLAIS,D.ASTRUC |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,2617(2003) |
| Literature Reference DOI | 10.1021/ja021325d |
| Molecular Weight | 1293.945 g/mol |
| Sample ID | 40666 |
| Solvent | CDCl3 |