![1,3-BIS-[3-(2-AMINO-1-TRITYL-1H-IMIDAZOL-4-YL)-PROP-2-YNYL]-UREA](/api/spectrum/9uwmMwuysEF/structure.png?h=300&w=458 "1,3-BIS-[3-(2-AMINO-1-TRITYL-1H-IMIDAZOL-4-YL)-PROP-2-YNYL]-UREA")
| SpectraBase Compound ID | 5AXFk8dMFkT |
|---|---|
| InChI | InChI=1S/C51H46N8O/c52-47-56-45(37-58(47)50(39-21-7-1-8-22-39,40-23-9-2-10-24-40)41-25-11-3-12-26-41)33-19-35-54-49(60)55-36-20-34-46-38-59(48(53)57-46)51(42-27-13-4-14-28-42,43-29-15-5-16-30-43)44-31-17-6-18-32-44/h1-34,37-38H,35-36H2,(H2,52,56)(H2,53,57)(H2,54,55,60)/b33-19+,34-20+ |
| InChIKey | VBNWYYBXQJRIQG-ZXHXELASSA-N |
| Mol Weight | 787.0 g/mol |
| Molecular Formula | C51H46N8O |
| Exact Mass | 786.379458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uwmMwuysEF |
|---|---|
| Name | 1,3-BIS-[3-(2-AMINO-1-TRITYL-1H-IMIDAZOL-4-YL)-PROP-2-YNYL]-UREA |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H46N8O |
| InChI | InChI=1S/C51H46N8O/c52-47-56-45(37-58(47)50(39-21-7-1-8-22-39,40-23-9-2-10-24-40)41-25-11-3-12-26-41)33-19-35-54-49(60)55-36-20-34-46-38-59(48(53)57-46)51(42-27-13-4-14-28-42,43-29-15-5-16-30-43)44-31-17-6-18-32-44/h1-34,37-38H,35-36H2,(H2,52,56)(H2,53,57)(H2,54,55,60)/b33-19+,34-20+ |
| InChIKey | VBNWYYBXQJRIQG-ZXHXELASSA-N |
| Literature Reference Author | C.POEVERLEIN,G.BRECKLE,T.LINDEL |
| Literature Reference Citation | ORG.LETTERS,8,819(2006) |
| Literature Reference DOI | 10.1021/ol0526219 |
| Molecular Weight | 786.979 g/mol |
| Sample ID | 39935 |
| Solvent | CDCl3 |