| SpectraBase Compound ID | A9VGyTE1SAd |
|---|---|
| InChI | InChI=1S/C12H26O7P2/c1-5-9-15-20(13,16-10-6-2)19-21(14,17-11-7-3)18-12-8-4/h5H,1,6-12H2,2-4H3 |
| InChIKey | CQUIVCPOWMGHDO-UHFFFAOYSA-N |
| Mol Weight | 344.28 g/mol |
| Molecular Formula | C12H26O7P2 |
| Exact Mass | 344.115377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6R7cOviGpGM |
|---|---|
| Name | Diphosphoric acid, 2-propenyl tripropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.115377166 u |
| Formula | C12H26O7P2 |
| InChI | InChI=1S/C12H26O7P2/c1-5-9-15-20(13,16-10-6-2)19-21(14,17-11-7-3)18-12-8-4/h5H,1,6-12H2,2-4H3 |
| InChIKey | CQUIVCPOWMGHDO-UHFFFAOYSA-N |
| Molecular Weight | 344.281 g/mol |
| SMILES | C(OP(OP(=O)(OCC=C)OCCC)(=O)OCCC)CC |