| SpectraBase Compound ID | DdukYeT9Njp |
|---|---|
| InChI | InChI=1S/C40H44Cl4N2O19S.C6H15N/c41-24-22(23(36(51)52)25(42)27(44)26(24)43)35(50)46-28-30(48)29(47)21(18-62-66(56,57)58)63-38(28)64-33-32(60-16-19-10-4-1-5-11-19)31(49)39(65-34(33)37(53)54)59-15-9-3-8-14-45-40(55)61-17-20-12-6-2-7-13-20;1-4-7(5-2)6-3/h1-2,4-7,10-13,21,28-34,38-39,47-49H,3,8-9,14-18H2,(H,45,55)(H,46,50)(H,51,52)(H,53,54)(H,56,57,58);4-6H2,1-3H3/t21-,28-,29+,30-,31-,32-,33+,34+,38+,39-;/m1./s1 |
| InChIKey | AXRNYINWTQNGNO-NOVQALAXSA-N |
| Mol Weight | 1131.9 g/mol |
| Molecular Formula | C46H59Cl4N3O19S |
| Exact Mass | 1129.221759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZL1kmYNtqB |
|---|---|
| Name | AXRNYINWTQNGNO-NOVQALAXSA-N |
| Compound Number | 23-TRIETHYLAMMONIUM-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H59Cl4N3O19S |
| InChI | InChI=1S/C40H44Cl4N2O19S.C6H15N/c41-24-22(23(36(51)52)25(42)27(44)26(24)43)35(50)46-28-30(48)29(47)21(18-62-66(56,57)58)63-38(28)64-33-32(60-16-19-10-4-1-5-11-19)31(49)39(65-34(33)37(53)54)59-15-9-3-8-14-45-40(55)61-17-20-12-6-2-7-13-20;1-4-7(5-2)6-3/h1-2,4-7,10-13,21,28-34,38-39,47-49H,3,8-9,14-18H2,(H,45,55)(H,46,50)(H,51,52)(H,53,54)(H,56,57,58);4-6H2,1-3H3/t21-,28-,29+,30-,31-,32-,33+,34+,38+,39-;/m1./s1 |
| InChIKey | AXRNYINWTQNGNO-NOVQALAXSA-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 | 1131.855 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU85330 |