| SpectraBase Compound ID | 5kma4sAuVub |
|---|---|
| InChI | InChI=1S/C21H25N5O5/c1-21(2,29-3)30-10-15-14(27)9-16(31-15)26-12-24-17-18(22-11-23-19(17)26)25-20(28)13-7-5-4-6-8-13/h4-8,11-12,14-16,27H,9-10H2,1-3H3,(H,22,23,25,28)/t14-,15+,16+/m1/s1 |
| InChIKey | AZVLHJVRIAHOBB-PMPSAXMXSA-N |
| Mol Weight | 427.46 g/mol |
| Molecular Formula | C21H25N5O5 |
| Exact Mass | 427.185569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMNfjJCvdLX |
|---|---|
| Name | N-(6)-BENZOYL-5'-O-(1-METHOXY-1-METHYLETHYL)-2'-DEOXY-ADENOSINE |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H25N5O5 |
| InChI | InChI=1S/C21H25N5O5/c1-21(2,29-3)30-10-15-14(27)9-16(31-15)26-12-24-17-18(22-11-23-19(17)26)25-20(28)13-7-5-4-6-8-13/h4-8,11-12,14-16,27H,9-10H2,1-3H3,(H,22,23,25,28)/t14-,15+,16+/m1/s1 |
| InChIKey | AZVLHJVRIAHOBB-PMPSAXMXSA-N |
| Literature Reference Author | A.G.MOLINA,V.KUNGURTSEV,P.VIRTA,H.LOENNBERG |
| Literature Reference Citation | MOLECULES,17,12102(2012) |
| Literature Reference DOI | 10.3390/molecules171012102 |
| Molecular Weight | 427.460 g/mol |
| Sample ID | 1537 |
| Solvent | CD3CN |