| SpectraBase Compound ID | 4oIuzDWdHfz |
|---|---|
| InChI | InChI=1S/C9H12FN2O7P.C6H15N/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(19-7)3-18-20(16)17;1-4-7(5-2)6-3/h2,5-7,13,20H,1,3H2,(H,16,17)(H,11,14,15);4-6H2,1-3H3/t5-,6+,7+;/m0./s1 |
| InChIKey | JOOWUYWGQPHSJP-VWZUFWLJSA-N |
| Mol Weight | 411.37 g/mol |
| Molecular Formula | C15H27FN3O7P |
| Exact Mass | 411.157065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BavqLHNI6Zr |
|---|---|
| Name | 5-Fluoro-2'-deoxyuridin-5'-yl_h-phosphonate_triethylammonium_salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.157065375 u |
| Formula | C15H27FN3O7P |
| InChI | InChI=1S/C9H12FN2O7P.C6H15N/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(19-7)3-18-20(16)17;1-4-7(5-2)6-3/h2,5-7,13,20H,1,3H2,(H,16,17)(H,11,14,15);4-6H2,1-3H3/t5-,6+,7+;/m0./s1 |
| InChIKey | JOOWUYWGQPHSJP-VWZUFWLJSA-N |
| Molecular Weight | 411.367 g/mol |
| SMILES | C([NH+](CC)CC)C.C1(=O)NC(=O)C(F)=CN1[C@]1(C[C@](O)([C@](O1)(COP(=O)[O-])[H])[H])[H] |