| SpectraBase Compound ID | 6zRgr0lHMSI |
|---|---|
| InChI | InChI=1S/C12H17N2O9P/c1-6-4-14(12(18)13-11(6)17)10-3-8(16)9(22-10)5-21-24(19,20)23-7(2)15/h4,8-10,16H,3,5H2,1-2H3,(H,19,20)(H,13,17,18)/t8-,9+,10+/m0/s1 |
| InChIKey | XWXVKVOQWYLDII-IVZWLZJFSA-N |
| Mol Weight | 364.25 g/mol |
| Molecular Formula | C12H17N2O9P |
| Exact Mass | 364.067167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCnH5Q5vb8q |
|---|---|
| Name | Deoxythymidine-5'-o-acetylphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.067167124 u |
| Formula | C12H17N2O9P |
| InChI | InChI=1S/C12H17N2O9P/c1-6-4-14(12(18)13-11(6)17)10-3-8(16)9(22-10)5-21-24(19,20)23-7(2)15/h4,8-10,16H,3,5H2,1-2H3,(H,19,20)(H,13,17,18)/t8-,9+,10+/m0/s1 |
| InChIKey | XWXVKVOQWYLDII-IVZWLZJFSA-N |
| Molecular Weight | 364.247 g/mol |
| SMILES | OP(OC[C@]1(O[C@](C[C@@]1(O)[H])(N1C=C(C)C(NC1=O)=O)[H])[H])(=O)OC(C)=O |