| SpectraBase Compound ID | HJbzp7molaf |
|---|---|
| InChI | InChI=1S/C46H53IN7O12PSi.C6H15N/c1-28-23-53(44(58)48-42(28)56)39-21-35(38(27-55)62-39)64-67(60,61)65-36(20-32-26-52(51-50-32)25-30-16-18-31(47)19-17-30)41-37(22-40(63-41)54-24-29(2)43(57)49-45(54)59)66-68(46(3,4)5,33-12-8-6-9-13-33)34-14-10-7-11-15-34;1-4-7(5-2)6-3/h6-19,23-24,26,35-41,55H,20-22,25,27H2,1-5H3,(H,60,61)(H,48,56,58)(H,49,57,59);4-6H2,1-3H3/t35-,36?,37-,38+,39+,40+,41+;/m0./s1 |
| InChIKey | WRRKUDUWTZOQNF-QRJAZEOMSA-N |
| Mol Weight | 1183.1 g/mol |
| Molecular Formula | C52H68IN8O12PSi |
| Exact Mass | 1182.350828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Alq60bWix2M |
|---|---|
| Name | WRRKUDUWTZOQNF-QRJAZEOMSA-N |
| Compound Number | 4T |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H68IN8O12PSi |
| InChI | InChI=1S/C46H53IN7O12PSi.C6H15N/c1-28-23-53(44(58)48-42(28)56)39-21-35(38(27-55)62-39)64-67(60,61)65-36(20-32-26-52(51-50-32)25-30-16-18-31(47)19-17-30)41-37(22-40(63-41)54-24-29(2)43(57)49-45(54)59)66-68(46(3,4)5,33-12-8-6-9-13-33)34-14-10-7-11-15-34;1-4-7(5-2)6-3/h6-19,23-24,26,35-41,55H,20-22,25,27H2,1-5H3,(H,60,61)(H,48,56,58)(H,49,57,59);4-6H2,1-3H3/t35-,36?,37-,38+,39+,40+,41+;/m0./s1 |
| InChIKey | WRRKUDUWTZOQNF-QRJAZEOMSA-N |
| Literature Reference Author | D.JAMES,J.M.ESCUDIER,M.SZLOSEK-PINAUD,E.FOUQUET |
| Literature Reference Citation | MOLECULES,18,13654(2013) |
| Literature Reference DOI | 10.3390/molecules181113654 |
| Molecular Weight | 1183.122 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9878 |