| SpectraBase Compound ID | 47Ml5kBB6km |
|---|---|
| InChI | InChI=1S/C10H12FN4O6P.C6H15N/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(21-22(18)19)5(2-16)20-6;1-4-7(5-2)6-3/h3-6,16,22H,1-2H2,(H,18,19)(H,13,14,17);4-6H2,1-3H3/t4-,5+,6+;/m1./s1 |
| InChIKey | ZWMGTIRHMWLBFJ-GAJRHLONSA-N |
| Mol Weight | 435.39 g/mol |
| Molecular Formula | C16H27FN5O6P |
| Exact Mass | 435.168299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ai2vo4VbAw |
|---|---|
| Name | 2-Fluoro-2'-deoxyinosine-3'-H-phosphonate-triethylammonium-salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.168298764 u |
| Formula | C16H27FN5O6P |
| InChI | InChI=1S/C10H12FN4O6P.C6H15N/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(21-22(18)19)5(2-16)20-6;1-4-7(5-2)6-3/h3-6,16,22H,1-2H2,(H,18,19)(H,13,14,17);4-6H2,1-3H3/t4-,5+,6+;/m1./s1 |
| InChIKey | ZWMGTIRHMWLBFJ-GAJRHLONSA-N |
| Molecular Weight | 435.393 g/mol |
| SMILES | C([NH+](CC)CC)C.C1(F)=NC2=C(C(=O)N1)N=CN2[C@@]1(C[C@]([C@@](O1)(CO)[H])(OP(=O)[O-])[H])[H] |