| SpectraBase Compound ID | Bnmu1P5FXgW |
|---|---|
| InChI | InChI=1S/C45H55ClN2O12/c1-21-12-10-13-22(2)44(56)48-35-30(20-47-19-28-14-11-15-29(46)18-28)39(53)32-33(40(35)54)38(52)26(6)42-34(32)43(55)45(8,60-42)58-17-16-31(57-9)23(3)41(59-27(7)49)25(5)37(51)24(4)36(21)50/h10-18,21,23-25,31,36-37,41,47,50-54H,19-20H2,1-9H3,(H,48,56)/b12-10+,17-16+,22-13-/t21-,23+,24-,25+,31-,36-,37+,41+,45-/m0/s1 |
| InChIKey | OQAPWVMGSGLNGK-SKMBBZRJSA-N |
| Mol Weight | 851.4 g/mol |
| Molecular Formula | C45H55ClN2O12 |
| Exact Mass | 850.344353 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6Z2p0u6yfg |
|---|---|
| Name | ZWITTERIONIC-FORM;SOLID-STATE |
| Compound Number | 5-B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H55ClN2O12 |
| InChI | InChI=1S/C45H55ClN2O12/c1-21-12-10-13-22(2)44(56)48-35-30(20-47-19-28-14-11-15-29(46)18-28)39(53)32-33(40(35)54)38(52)26(6)42-34(32)43(55)45(8,60-42)58-17-16-31(57-9)23(3)41(59-27(7)49)25(5)37(51)24(4)36(21)50/h10-18,21,23-25,31,36-37,41,47,50-54H,19-20H2,1-9H3,(H,48,56)/b12-10+,17-16+,22-13-/t21-,23+,24-,25+,31-,36-,37+,41+,45-/m0/s1 |
| InChIKey | OQAPWVMGSGLNGK-SKMBBZRJSA-N |
| Literature Reference Author | P.PRZYBYLSKI,K.PYTA,K.KLICH,W.SCHILF,B.KAMIENSKI |
| Literature Reference Citation | MAGN.RES.CHEM.,52,10(2014) |
| Literature Reference DOI | 10.1002/mrc.4028 |
| Solvent | Unknown |
| Source File Reference | UWBT15714 |