| SpectraBase Compound ID | HqMZpeoCmRg |
|---|---|
| InChI | InChI=1S/C54H48N5O8P.Li/c1-64-68(62,63)67-51-48-42-22-40(36-18-32-28-16-30(34(32)20-38(36)42)26-8-4-2-6-24(26)28)46(48)50(66-15-14-65-13-12-57-52(60)44-10-11-45(58-44)53(61)59-54(55)56)47-41-23-43(49(47)51)39-21-35-31-17-29(33(35)19-37(39)41)25-7-3-5-9-27(25)31;/h2-11,18-21,28-31,40-43,58H,12-17,22-23H2,1H3,(H,57,60)(H,62,63)(H4,55,56,59,61);/q;+1/p-1/t28-,29+,30+,31-,40-,41+,42+,43-; |
| InChIKey | KNEZYGUPYHNQBG-AKRMBKKQSA-M |
| Mol Weight | 931.9 g/mol |
| Molecular Formula | C54H47LiN5O8P |
| Exact Mass | 931.332229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAVc4CixX2M |
|---|---|
| Name | LITIUM-SALT |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H47LiN5O8P |
| InChI | InChI=1S/C54H48N5O8P.Li/c1-64-68(62,63)67-51-48-42-22-40(36-18-32-28-16-30(34(32)20-38(36)42)26-8-4-2-6-24(26)28)46(48)50(66-15-14-65-13-12-57-52(60)44-10-11-45(58-44)53(61)59-54(55)56)47-41-23-43(49(47)51)39-21-35-31-17-29(33(35)19-37(39)41)25-7-3-5-9-27(25)31;/h2-11,18-21,28-31,40-43,58H,12-17,22-23H2,1H3,(H,57,60)(H,62,63)(H4,55,56,59,61);/q;+1/p-1/t28-,29+,30+,31-,40-,41+,42+,43-; |
| InChIKey | KNEZYGUPYHNQBG-AKRMBKKQSA-M |
| Literature Reference Author | T.GERSTHAGEN,J.HOFMANN,F.G.KLAERNER,C.SCHMUCK,T.SCHRADER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,1080(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201052 |
| Molecular Weight | 931.911 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT20618 |