![9-BENZYL-2-[(3-NITROPHENYL)-(4-NITROBENZOYLOXY)-METHYL]-6-(BUT-2-YL)-PURINE](/api/spectrum/5oz4fF4apvp/structure.png?h=300&w=458 "9-BENZYL-2-[(3-NITROPHENYL)-(4-NITROBENZOYLOXY)-METHYL]-6-(BUT-2-YL)-PURINE")
| SpectraBase Compound ID | Q9X7m0BsS9 |
|---|---|
| InChI | InChI=1S/2C30H26N6O6/c2*1-3-19(2)25-26-29(34(18-31-26)17-20-8-5-4-6-9-20)33-28(32-25)27(22-10-7-11-24(16-22)36(40)41)42-30(37)21-12-14-23(15-13-21)35(38)39/h2*4-16,18-19,27H,3,17H2,1-2H3/t2*19?,27-/m10/s1 |
| InChIKey | NMAZWUQHPRDAJV-CJQAKATCSA-N |
| Mol Weight | 1133.15 g/mol |
| Molecular Formula | C60H52N12O12 |
| Exact Mass | 1132.382765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oz4fF4apvp |
|---|---|
| Name | 9-BENZYL-2-[(3-NITROPHENYL)-(4-NITROBENZOYLOXY)-METHYL]-6-(BUT-2-YL)-PURINE |
| Compound Number | 10C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H52N12O12 |
| InChI | InChI=1S/2C30H26N6O6/c2*1-3-19(2)25-26-29(34(18-31-26)17-20-8-5-4-6-9-20)33-28(32-25)27(22-10-7-11-24(16-22)36(40)41)42-30(37)21-12-14-23(15-13-21)35(38)39/h2*4-16,18-19,27H,3,17H2,1-2H3/t2*19?,27-/m10/s1 |
| InChIKey | NMAZWUQHPRDAJV-CJQAKATCSA-N |
| Literature Reference Author | T.TOBRMAN,D.DVORAK |
| Literature Reference Citation | ORG.LETTERS,8,1291(2006) |
| Literature Reference DOI | 10.1021/ol053013w |
| Molecular Weight | 1133.146 g/mol |
| Sample ID | 40025 |
| Solvent | CDCl3 |