| SpectraBase Compound ID | 1kpwIsOvBSN |
|---|---|
| InChI | InChI=1S/C11H14ClN5O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(13)15-11(12)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | KUQCXSXVZXOAIA-KQYNXXCUSA-N |
| Mol Weight | 331.78 g/mol |
| Molecular Formula | C11H14ClN5O3S |
| Exact Mass | 331.050588 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CEvLbMvO6YW |
|---|---|
| Name | 2-Chloro-5'-deoxy-5'-(methylthio)adenosine |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H14ClN5O3S |
| InChI | InChI=1S/C11H14ClN5O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(13)15-11(12)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | KUQCXSXVZXOAIA-KQYNXXCUSA-N |
| Ionization Type | EI |
| Reported Formula | C11H14(35)ClN5O3S |
| SMILES | O[C@]1([C@]([C@]([n]2cnc3c(nc(nc23)Cl)N)(O[C@@]1(CSC)[H])[H])(O)[H])[H] |
| SPLASH | splash10-00dj-0900000000-347b99089565b4bf1d3d |
| Source of Spectrum | WO2016168911A1 |
| Wiley ID | 1853285 |