| SpectraBase Compound ID | 2xm2AmliX86 |
|---|---|
| InChI | InChI=1S/C30H35IN7O12P.C6H15N/c1-15-10-37(29(43)32-27(15)41)24-8-20(40)26(48-24)22(7-19-13-36(35-34-19)12-17-3-5-18(31)6-4-17)50-51(45,46)49-21-9-25(47-23(21)14-39)38-11-16(2)28(42)33-30(38)44;1-4-7(5-2)6-3/h3-6,10-11,13,20-26,39-40H,7-9,12,14H2,1-2H3,(H,45,46)(H,32,41,43)(H,33,42,44);4-6H2,1-3H3/t20-,21-,22?,23+,24+,25+,26-;/m0./s1 |
| InChIKey | LGXPIVUPOBPFSK-SOIDMJJBSA-N |
| Mol Weight | 944.72 g/mol |
| Molecular Formula | C36H50IN8O12P |
| Exact Mass | 944.233051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5G2PEu8d2di |
|---|---|
| Name | LGXPIVUPOBPFSK-SOIDMJJBSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50IN8O12P |
| InChI | InChI=1S/C30H35IN7O12P.C6H15N/c1-15-10-37(29(43)32-27(15)41)24-8-20(40)26(48-24)22(7-19-13-36(35-34-19)12-17-3-5-18(31)6-4-17)50-51(45,46)49-21-9-25(47-23(21)14-39)38-11-16(2)28(42)33-30(38)44;1-4-7(5-2)6-3/h3-6,10-11,13,20-26,39-40H,7-9,12,14H2,1-2H3,(H,45,46)(H,32,41,43)(H,33,42,44);4-6H2,1-3H3/t20-,21-,22?,23+,24+,25+,26-;/m0./s1 |
| InChIKey | LGXPIVUPOBPFSK-SOIDMJJBSA-N |
| Literature Reference Author | D.JAMES,J.M.ESCUDIER,M.SZLOSEK-PINAUD,E.FOUQUET |
| Literature Reference Citation | MOLECULES,18,13654(2013) |
| Literature Reference DOI | 10.3390/molecules181113654 |
| Molecular Weight | 944.718 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9879 |