| SpectraBase Compound ID | 6LPeuGAOtAw |
|---|---|
| InChI | InChI=1S/C13H18ClO5P/c1-3-18-20(16,19-4-2)10-12(15)9-17-13-7-5-6-11(14)8-13/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | KTIYRDMTOPZCHO-UHFFFAOYSA-N |
| Mol Weight | 320.71 g/mol |
| Molecular Formula | C13H18ClO5P |
| Exact Mass | 320.058038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wMViTvjSaw |
|---|---|
| Name | Diethyl 3-(3-chlorophenoxy)acetonylphosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.058038373 u |
| Formula | C13H18ClO5P |
| InChI | InChI=1S/C13H18ClO5P/c1-3-18-20(16,19-4-2)10-12(15)9-17-13-7-5-6-11(14)8-13/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | KTIYRDMTOPZCHO-UHFFFAOYSA-N |
| Molecular Weight | 320.709 g/mol |
| SMILES | C(OP(=O)(CC(=O)COc1cccc(c1)Cl)OCC)C |