| SpectraBase Compound ID | 5BUztlJiNXB |
|---|---|
| InChI | InChI=1S/C17H18ClN5O5/c18-17-21-14(19-5-8-1-3-9(25)4-2-8)11-15(22-17)23(7-20-11)16-13(27)12(26)10(6-24)28-16/h1-4,7,10,12-13,16,24-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m0/s1 |
| InChIKey | ARPGBDKADJWORB-SDPXSBNPSA-N |
| Mol Weight | 407.81 g/mol |
| Molecular Formula | C17H18ClN5O5 |
| Exact Mass | 407.099646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13Z4dQdweJs |
|---|---|
| Name | 2-CHLORO-N6-(4-HYDROXYBENZYL)-ADENOSINE |
| Compound Number | L11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H18ClN5O5 |
| InChI | InChI=1S/C17H18ClN5O5/c18-17-21-14(19-5-8-1-3-9(25)4-2-8)11-15(22-17)23(7-20-11)16-13(27)12(26)10(6-24)28-16/h1-4,7,10,12-13,16,24-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m0/s1 |
| InChIKey | ARPGBDKADJWORB-SDPXSBNPSA-N |
| Literature Reference Author | P.STARHA,I.POPA,Z.TRAVNICEK,J.VANCO |
| Literature Reference Citation | MOLECULES,18,6990(2013) |
| Literature Reference DOI | 10.3390/molecules18066990 |
| Molecular Weight | 407.813 g/mol |
| Solvent | DMF-D7 |
| Source File Reference | UWBT9458 |