| SpectraBase Compound ID | EjKjlMd3wJ5 |
|---|---|
| InChI | InChI=1S/2C16H16ClN5O4.C2H6O.H2O/c2*17-8-3-1-2-4-9(8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16;1-2-3;/h2*1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21);3H,2H2,1H3;1H2/t2*10-,12-,13-,16-;;/m11../s1 |
| InChIKey | SANIGDHXKJQVAL-JXOMPNTKSA-N |
| Mol Weight | 409.83 g/mol |
| Molecular Formula | C16H16ClN5O4·½C2H6O·½H2O |
| Exact Mass | 409.115296 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYaIHROHLAK |
|---|---|
| Name | N-(o-chlorophenyl)adenosine, compound with ethyl alcohol, hydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H40Cl2N10O10 |
| InChI | InChI=1S/2C16H16ClN5O4.C2H6O.H2O/c2*17-8-3-1-2-4-9(8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16;1-2-3;/h2*1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21);3H,2H2,1H3;1H2/t2*10-,12-,13-,16-;;/m11../s1 |
| InChIKey | SANIGDHXKJQVAL-JXOMPNTKSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 19579M |
| Solvent | DMSO-d6 |