| SpectraBase Compound ID | Itu21hlKIYP |
|---|---|
| InChI | InChI=1S/2C39H34Cl3F5N2O14/c2*1-16(50)56-14-25-32(60-17(2)51)34(61-18(3)52)31(49-38(55)59-15-39(40,41)42)36(62-25)57-13-24(35(53)63-33-29(46)27(44)26(43)28(45)30(33)47)48-37(54)58-12-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h2*4-11,23-25,31-32,34,36H,12-15H2,1-3H3,(H,48,54)(H,49,55)/t24-,25+,31+,32+,34+,36+;24-,25-,31-,32-,34-,36-/m10/s1 |
| InChIKey | QGMZIJHNCVJZBH-ZDKBEORPSA-N |
| Mol Weight | 1912.1 g/mol |
| Molecular Formula | C78H68Cl6F10N4O28 |
| Exact Mass | 1908.199155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wDc2DtGbdj |
|---|---|
| Name | QGMZIJHNCVJZBH-ZDKBEORPSA-N |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H68Cl6F10N4O28 |
| InChI | InChI=1S/2C39H34Cl3F5N2O14/c2*1-16(50)56-14-25-32(60-17(2)51)34(61-18(3)52)31(49-38(55)59-15-39(40,41)42)36(62-25)57-13-24(35(53)63-33-29(46)27(44)26(43)28(45)30(33)47)48-37(54)58-12-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h2*4-11,23-25,31-32,34,36H,12-15H2,1-3H3,(H,48,54)(H,49,55)/t24-,25+,31+,32+,34+,36+;24-,25-,31-,32-,34-,36-/m10/s1 |
| InChIKey | QGMZIJHNCVJZBH-ZDKBEORPSA-N |
| Literature Reference Author | U.K.SAHA,R.R.SCHMIDT |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1855(1997) |
| Literature Reference DOI | 10.1039/a700210f |
| Molecular Weight | 1912.110 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9141 |