| SpectraBase Compound ID | LP5SzQ6N6Rq |
|---|---|
| InChI | InChI=1S/C12H17N5O3S/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(19)8(18)6(20-12)3-21-2/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | RXBSGKNNSPBKBU-WOUKDFQISA-N |
| Mol Weight | 311.36 g/mol |
| Molecular Formula | C12H17N5O3S |
| Exact Mass | 311.105211 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8KIKuMLpIsx |
|---|---|
| Name | 5'-Deoxy-N6-methyl-5'-(methylthio)adenosine |
| Appearance | Pale yellow solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17N5O3S |
| InChI | InChI=1S/C12H17N5O3S/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(19)8(18)6(20-12)3-21-2/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | RXBSGKNNSPBKBU-WOUKDFQISA-N |
| Ionization Type | EI |
| Molecular Weight | 311.360 g/mol |
| Reported Formula | C12H17N5O3S |
| SMILES | O[C@]1([C@]([C@]([n]2cnc3c(ncnc23)NC)(O[C@@]1(CSC)[H])[H])(O)[H])[H] |
| SPLASH | splash10-004i-0910000000-9c3f9b33d9b37488caca |
| Source of Spectrum | WO2016168911A1 |
| Wiley ID | 1853298 |