| SpectraBase Compound ID | K6qGjPJW1l9 |
|---|---|
| InChI | InChI=1S/C49H39N3O5/c50-33-31-42-43(35-55-48(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)56-46(52-34-32-44(53)51-47(52)54)45(42)57-49(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-32,34,43,45-46H,35H2,(H,51,53,54)/b42-31+/t43-,45-,46-/m0/s1 |
| InChIKey | YUKMLEKCKDHLRG-WQOTWJJHSA-N |
| Mol Weight | 749.9 g/mol |
| Molecular Formula | C49H39N3O5 |
| Exact Mass | 749.288971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JpFaFWH7LS4 |
|---|---|
| Name | (E)-3'-CYANOMETHYLENE-3'-DEOXY-2',5'-DI-O-TRITYLURIDINE |
| Compound Number | 20 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C49H39N3O5/c50-33-31-42-43(35-55-48(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)56-46(52-34-32-44(53)51-47(52)54)45(42)57-49(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-32,34,43,45-46H,35H2,(H,51,53,54)/b42-31+/t43-,45-,46-/m0/s1 |
| InChIKey | YUKMLEKCKDHLRG-WQOTWJJHSA-N |
| Literature Reference | S.P.AUGUSTA,D.W.YOUNG J.CHEM.SOC.PERKIN-1,395(1995) |
| Solvent | Chloroform-d |
| Technique | APT, DEPT, INEPT |