| SpectraBase Compound ID | 9NUGpvPfAFB |
|---|---|
| InChI | InChI=1S/2C40H36Cl3F5N2O14/c2*1-16(60-37-32(50-39(56)59-15-40(41,42)43)35(62-19(4)53)33(61-18(3)52)25(63-37)14-57-17(2)51)31(36(54)64-34-29(47)27(45)26(44)28(46)30(34)48)49-38(55)58-13-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h2*5-12,16,24-25,31-33,35,37H,13-15H2,1-4H3,(H,49,55)(H,50,56)/t16-,25+,31+,32+,33+,35+,37+;16-,25+,31-,32+,33+,35+,37+/m11/s1 |
| InChIKey | NYDSVGLDIZVUMA-NQMWAKAJSA-N |
| Mol Weight | 1940.2 g/mol |
| Molecular Formula | C80H72Cl6F10N4O28 |
| Exact Mass | 1936.230455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEEsIrfczLp |
|---|---|
| Name | NYDSVGLDIZVUMA-NQMWAKAJSA-N |
| Compound Number | 13B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H72Cl6F10N4O28 |
| InChI | InChI=1S/2C40H36Cl3F5N2O14/c2*1-16(60-37-32(50-39(56)59-15-40(41,42)43)35(62-19(4)53)33(61-18(3)52)25(63-37)14-57-17(2)51)31(36(54)64-34-29(47)27(45)26(44)28(46)30(34)48)49-38(55)58-13-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h2*5-12,16,24-25,31-33,35,37H,13-15H2,1-4H3,(H,49,55)(H,50,56)/t16-,25+,31+,32+,33+,35+,37+;16-,25+,31-,32+,33+,35+,37+/m11/s1 |
| InChIKey | NYDSVGLDIZVUMA-NQMWAKAJSA-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 | 1940.164 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9143 |