| SpectraBase Compound ID | 4fSXLfIpQcY |
|---|---|
| InChI | InChI=1S/C31H36N4O4/c36-28(25-9-5-2-6-10-25)27-19-35(34-33-27)12-11-26(29(37)39-20-21-7-3-1-4-8-21)32-30(38)31-16-22-13-23(17-31)15-24(14-22)18-31/h1-10,19,22-24,26,28,36H,11-18,20H2,(H,32,38)/t22-,23+,24-,26-,28?,31-/m0/s1 |
| InChIKey | NIIMFIYIXATRLS-ILQHYJIXSA-N |
| Mol Weight | 528.7 g/mol |
| Molecular Formula | C31H36N4O4 |
| Exact Mass | 528.273656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99arBsr6unr |
|---|---|
| Name | NIIMFIYIXATRLS-ILQHYJIXSA-N |
| Compound Number | 17B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36N4O4 |
| InChI | InChI=1S/C31H36N4O4/c36-28(25-9-5-2-6-10-25)27-19-35(34-33-27)12-11-26(29(37)39-20-21-7-3-1-4-8-21)32-30(38)31-16-22-13-23(17-31)15-24(14-22)18-31/h1-10,19,22-24,26,28,36H,11-18,20H2,(H,32,38)/t22-,23+,24-,26-,28?,31-/m0/s1 |
| InChIKey | NIIMFIYIXATRLS-ILQHYJIXSA-N |
| Literature Reference Author | D.CLAES,M.HOLZAPFEL,N.CLAUSEN,W.MAISON |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,6361(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300769 |
| Molecular Weight | 528.651 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT20176 |