| SpectraBase Compound ID | 2CtWoPYeDS9 |
|---|---|
| InChI | InChI=1S/C16H20N3O7P/c1-10-8-19(16(22)17-15(10)21)14-7-12(20)13(26-14)9-25-27(23,24)18-11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,17,21,22)(H2,18,23,24)/t12-,13+,14+/m0/s1 |
| InChIKey | MZTCKGYUOHRZCM-BFHYXJOUSA-N |
| Mol Weight | 397.32 g/mol |
| Molecular Formula | C16H20N3O7P |
| Exact Mass | 397.103887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dgm2um9zQ8Z |
|---|---|
| Name | Deoxythymidine, 5'-anilidophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.103886987 u |
| Formula | C16H20N3O7P |
| InChI | InChI=1S/C16H20N3O7P/c1-10-8-19(16(22)17-15(10)21)14-7-12(20)13(26-14)9-25-27(23,24)18-11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,17,21,22)(H2,18,23,24)/t12-,13+,14+/m0/s1 |
| InChIKey | MZTCKGYUOHRZCM-BFHYXJOUSA-N |
| Molecular Weight | 397.324 g/mol |
| SMILES | OP(OC[C@]1(O[C@](C[C@@]1(O)[H])(N1C=C(C)C(NC1=O)=O)[H])[H])(=O)Nc1ccccc1 |