| SpectraBase Compound ID | JLJYQVpgQrX |
|---|---|
| InChI | InChI=1S/C14H28O9P2/c1-5-19-24(17,20-6-2)11-9-13(15)23-14(16)10-12-25(18,21-7-3)22-8-4/h5-12H2,1-4H3 |
| InChIKey | IFMFBGJJZIMAMZ-UHFFFAOYSA-N |
| Mol Weight | 402.32 g/mol |
| Molecular Formula | C14H28O9P2 |
| Exact Mass | 402.120856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EgjFclYE7b |
|---|---|
| Name | 3-Diethylphosphonopropanoic acid, anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.120856469 u |
| Formula | C14H28O9P2 |
| InChI | InChI=1S/C14H28O9P2/c1-5-19-24(17,20-6-2)11-9-13(15)23-14(16)10-12-25(18,21-7-3)22-8-4/h5-12H2,1-4H3 |
| InChIKey | IFMFBGJJZIMAMZ-UHFFFAOYSA-N |
| Molecular Weight | 402.317 g/mol |
| SMILES | C(OC(=O)CCP(OCC)(=O)OCC)(=O)CCP(OCC)(=O)OCC |