![Dimethyl[(E)-7-hydroxy-2-oxohept-3-en-1-yl]phosphonate](/api/spectrum/9NmjrjIsoCn/structure.png?h=300&w=458 "Dimethyl[(E)-7-hydroxy-2-oxohept-3-en-1-yl]phosphonate")
| SpectraBase Compound ID | AUgSNMGBmWP |
|---|---|
| InChI | InChI=1S/C9H17O5P/c1-13-15(12,14-2)8-9(11)6-4-3-5-7-10/h4,6,10H,3,5,7-8H2,1-2H3/b6-4+ |
| InChIKey | SJEAHJXXINGXQL-GQCTYLIASA-N |
| Mol Weight | 236.2 g/mol |
| Molecular Formula | C9H17O5P |
| Exact Mass | 236.081361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NmjrjIsoCn |
|---|---|
| Name | Dimethyl[(E)-7-hydroxy-2-oxohept-3-en-1-yl]phosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.081360640 u |
| Formula | C9H17O5P |
| InChI | InChI=1S/C9H17O5P/c1-13-15(12,14-2)8-9(11)6-4-3-5-7-10/h4,6,10H,3,5,7-8H2,1-2H3/b6-4+ |
| InChIKey | SJEAHJXXINGXQL-GQCTYLIASA-N |
| Molecular Weight | 236.204 g/mol |
| SMILES | C(P(=O)(OC)OC)C(\C=C\CCCO)=O |