| SpectraBase Compound ID | GD3qw4OxUxL |
|---|---|
| InChI | InChI=1S/C12H25O4P/c1-5-12(9-8-11(4)13)10-17(14,15-6-2)16-7-3/h12H,5-10H2,1-4H3 |
| InChIKey | NJDWIWGUIURYRZ-UHFFFAOYSA-N |
| Mol Weight | 264.3 g/mol |
| Molecular Formula | C12H25O4P |
| Exact Mass | 264.149046 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AT5m5iQ4fvb |
|---|---|
| Name | 5-(Diethoxyphosphorylmethyl)-2-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.149046279 u |
| Formula | C12H25O4P |
| InChI | InChI=1S/C12H25O4P/c1-5-12(9-8-11(4)13)10-17(14,15-6-2)16-7-3/h12H,5-10H2,1-4H3 |
| InChIKey | NJDWIWGUIURYRZ-UHFFFAOYSA-N |
| Molecular Weight | 264.302 g/mol |
| SMILES | C(C(CCC(C)=O)CC)P(OCC)(OCC)=O |