![2-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-2,6-DIHYDROAZEPINE-[4.3.2-GH]-(8-AZA-7-DEAZAPURIN)-7-ONE](/api/spectrum/8tJq3qQFZa6/structure.png?h=300&w=458 "2-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-2,6-DIHYDROAZEPINE-[4.3.2-GH]-(8-AZA-7-DEAZAPURIN)-7-ONE")
| SpectraBase Compound ID | LyW5GW112Uc |
|---|---|
| InChI | InChI=1S/C13H13N5O4/c19-4-8-7(20)3-10(22-8)18-13-11-6(17-18)1-2-9(21)16-12(11)14-5-15-13/h1-2,5,7-8,10,19-20H,3-4H2,(H,14,15,16,21)/t7-,8+,10+/m1/s1 |
| InChIKey | PJWOAPUAAPTVCW-WEDXCCLWSA-N |
| Mol Weight | 303.28 g/mol |
| Molecular Formula | C13H13N5O4 |
| Exact Mass | 303.096754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tJq3qQFZa6 |
|---|---|
| Name | 2-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-2,6-DIHYDROAZEPINE-[4.3.2-GH]-(8-AZA-7-DEAZAPURIN)-7-ONE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H13N5O4 |
| InChI | InChI=1S/C13H13N5O4/c19-4-8-7(20)3-10(22-8)18-13-11-6(17-18)1-2-9(21)16-12(11)14-5-15-13/h1-2,5,7-8,10,19-20H,3-4H2,(H,14,15,16,21)/t7-,8+,10+/m1/s1 |
| InChIKey | PJWOAPUAAPTVCW-WEDXCCLWSA-N |
| Literature Reference Author | F.SEELA,M.ZULAUF |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3233(1998) |
| Literature Reference DOI | 10.1039/a804706e |
| Molecular Weight | 303.277 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ6329 |