| SpectraBase Compound ID | 8ySmyxkTeF3 |
|---|---|
| InChI | InChI=1S/C40H44Cl4N2O22S2.2C6H15N/c41-24-22(23(36(50)51)25(42)27(44)26(24)43)35(49)46-28-29(47)31(68-70(58,59)60)21(18-64-69(55,56)57)65-38(28)66-33-32(62-16-19-10-4-1-5-11-19)30(48)39(67-34(33)37(52)53)61-15-9-3-8-14-45-40(54)63-17-20-12-6-2-7-13-20;2*1-4-7(5-2)6-3/h1-2,4-7,10-13,21,28-34,38-39,47-48H,3,8-9,14-18H2,(H,45,54)(H,46,49)(H,50,51)(H,52,53)(H,55,56,57)(H,58,59,60);2*4-6H2,1-3H3/t21-,28-,29-,30-,31+,32-,33+,34+,38+,39-;;/m1../s1 |
| InChIKey | IKLAOUXYELGIIK-STUPGSTPSA-N |
| Mol Weight | 1313.1 g/mol |
| Molecular Formula | C52H74Cl4N4O22S2 |
| Exact Mass | 1310.299023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BB3WjbgM3YF |
|---|---|
| Name | IKLAOUXYELGIIK-STUPGSTPSA-N |
| Compound Number | 19-DI-TRIETHYLAMMONIUM-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H74Cl4N4O22S2 |
| InChI | InChI=1S/C40H44Cl4N2O22S2.2C6H15N/c41-24-22(23(36(50)51)25(42)27(44)26(24)43)35(49)46-28-29(47)31(68-70(58,59)60)21(18-64-69(55,56)57)65-38(28)66-33-32(62-16-19-10-4-1-5-11-19)30(48)39(67-34(33)37(52)53)61-15-9-3-8-14-45-40(54)63-17-20-12-6-2-7-13-20;2*1-4-7(5-2)6-3/h1-2,4-7,10-13,21,28-34,38-39,47-48H,3,8-9,14-18H2,(H,45,54)(H,46,49)(H,50,51)(H,52,53)(H,55,56,57)(H,58,59,60);2*4-6H2,1-3H3/t21-,28-,29-,30-,31+,32-,33+,34+,38+,39-;;/m1../s1 |
| InChIKey | IKLAOUXYELGIIK-STUPGSTPSA-N |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 1313.105 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU85326 |