![S-[2-[2-Hydroxy-3-isopropoxypropylamino]ethyl]thiophosphate](/api/spectrum/9EXeeB22uIY/structure.png?h=300&w=458 "S-[2-[2-Hydroxy-3-isopropoxypropylamino]ethyl]thiophosphate")
| SpectraBase Compound ID | 5XavABsZNvq |
|---|---|
| InChI | InChI=1S/C8H20NO5PS/c1-7(2)14-6-8(10)5-9-3-4-16-15(11,12)13/h7-10H,3-6H2,1-2H3,(H2,11,12,13) |
| InChIKey | LURUVJTYLATYGD-UHFFFAOYSA-N |
| Mol Weight | 273.28 g/mol |
| Molecular Formula | C8H20NO5PS |
| Exact Mass | 273.079981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EXeeB22uIY |
|---|---|
| Name | S-[2-[2-Hydroxy-3-isopropoxypropylamino]ethyl]thiophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.079980915 u |
| Formula | C8H20NO5PS |
| InChI | InChI=1S/C8H20NO5PS/c1-7(2)14-6-8(10)5-9-3-4-16-15(11,12)13/h7-10H,3-6H2,1-2H3,(H2,11,12,13) |
| InChIKey | LURUVJTYLATYGD-UHFFFAOYSA-N |
| Molecular Weight | 273.284 g/mol |
| SMILES | C(SP(O)(=O)O)CNCC(O)COC(C)C |