| SpectraBase Compound ID | JMebETSPSw6 |
|---|---|
| InChI | InChI=1S/C6H12FO8P.2C6H15N/c7-3-4(10)6(15-16(11,12)13)14-5(3)2(9)1-8;2*1-4-7(5-2)6-3/h2-6,8-10H,1H2,(H2,11,12,13);2*4-6H2,1-3H3/t2-,3-,4-,5+,6-;;/m1../s1 |
| InChIKey | CZMFXMZZHYJORN-MSDFHBOVSA-N |
| Mol Weight | 464.51 g/mol |
| Molecular Formula | C18H42FN2O8P |
| Exact Mass | 464.266281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdycKWDhNL3 |
|---|---|
| Name | bis-(Triethylammonium)-(3-deoxy-3-fluoro-alpha-D-galactofuranosyl)-phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.266281473 u |
| Formula | C18H42FN2O8P |
| InChI | InChI=1S/C6H12FO8P.2C6H15N/c7-3-4(10)6(15-16(11,12)13)14-5(3)2(9)1-8;2*1-4-7(5-2)6-3/h2-6,8-10H,1H2,(H2,11,12,13);2*4-6H2,1-3H3/t2-,3-,4-,5+,6-;;/m1../s1 |
| InChIKey | CZMFXMZZHYJORN-MSDFHBOVSA-N |
| Molecular Weight | 464.512 g/mol |
| SMILES | C([NH+](CC)CC)C.[C@@]1(O)([C@@](OP(=O)([O-])[O-])(O[C@]([C@@]1(F)[H])([C@](O)(CO)[H])[H])[H])[H].C([NH+](CC)CC)C |