| SpectraBase Compound ID | Jz6sJrmFZDl |
|---|---|
| InChI | InChI=1S/C16H19ClN6O6/c1-6(24)19-4-9-11(27-7(2)25)12(28-8(3)26)15(29-9)23-5-20-10-13(18)21-16(17)22-14(10)23/h5,9,11-12,15H,4H2,1-3H3,(H,19,24)(H2,18,21,22)/t9-,11-,12-,15-/m1/s1 |
| InChIKey | JAYYVUMIZTUVEY-SDBHATRESA-N |
| Mol Weight | 426.82 g/mol |
| Molecular Formula | C16H19ClN6O6 |
| Exact Mass | 426.10546 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ch35aZ27Koe |
|---|---|
| Name | 2',3'-Di-O-acetyl-5'-N-acetyl-5'-amino-2-chloro-5'-deoxyadenosine |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19ClN6O6 |
| InChI | InChI=1S/C16H19ClN6O6/c1-6(24)19-4-9-11(27-7(2)25)12(28-8(3)26)15(29-9)23-5-20-10-13(18)21-16(17)22-14(10)23/h5,9,11-12,15H,4H2,1-3H3,(H,19,24)(H2,18,21,22)/t9-,11-,12-,15-/m1/s1 |
| InChIKey | JAYYVUMIZTUVEY-SDBHATRESA-N |
| Ionization Type | EI |
| Molecular Weight | 426.817 g/mol |
| Reported Formula | C16H19(35)ClN6O6 |
| SMILES | Nc1c2nc[n]([C@]3([C@@]([C@@]([C@@](CNC(C)=O)(O3)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])c2nc(n1)Cl |
| SPLASH | splash10-00di-0920000000-d7fc231161d48d8b7b7c |
| Source of Spectrum | WO2016168911A1 |
| Wiley ID | 1853291 |