![(1R,4S)-N-(6)-BENZOYL-9-(4-[(4,4'-DIMETHOXYTRITYL)-OXY]-2-CYClOPENTAN-1-YL)-9H-ADENINE](/api/spectrum/If9w4LtPybQ/structure.png?h=300&w=458 "(1R,4S)-N-(6)-BENZOYL-9-(4-[(4,4'-DIMETHOXYTRITYL)-OXY]-2-CYClOPENTAN-1-YL)-9H-ADENINE")
| SpectraBase Compound ID | Bvtzin46eBA |
|---|---|
| InChI | InChI=1S/C38H33N5O4/c1-45-31-18-13-28(14-19-31)38(27-11-7-4-8-12-27,29-15-20-32(46-2)21-16-29)47-33-22-17-30(23-33)43-25-41-34-35(39-24-40-36(34)43)42-37(44)26-9-5-3-6-10-26/h3-22,24-25,30,33H,23H2,1-2H3,(H,39,40,42,44)/t30-,33+/m0/s1 |
| InChIKey | DFYXMSFDUQVTPC-BZKUTMRRSA-N |
| Mol Weight | 623.7 g/mol |
| Molecular Formula | C38H33N5O4 |
| Exact Mass | 623.253255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | If9w4LtPybQ |
|---|---|
| Name | (1R,4S)-N-(6)-BENZOYL-9-(4-[(4,4'-DIMETHOXYTRITYL)-OXY]-2-CYClOPENTAN-1-YL)-9H-ADENINE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H33N5O4 |
| InChI | InChI=1S/C38H33N5O4/c1-45-31-18-13-28(14-19-31)38(27-11-7-4-8-12-27,29-15-20-32(46-2)21-16-29)47-33-22-17-30(23-33)43-25-41-34-35(39-24-40-36(34)43)42-37(44)26-9-5-3-6-10-26/h3-22,24-25,30,33H,23H2,1-2H3,(H,39,40,42,44)/t30-,33+/m0/s1 |
| InChIKey | DFYXMSFDUQVTPC-BZKUTMRRSA-N |
| Literature Reference Author | M.KOGA,S.W.SCHNELLER |
| Literature Reference Citation | J.ORG.CHEM.,58,6471(1993) |
| Literature Reference DOI | 10.1021/jo00075a052 |
| Molecular Weight | 623.711 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19414 |