| SpectraBase Compound ID | IUPLKtU3M23 |
|---|---|
| InChI | InChI=1S/C18H21O3P/c1-2-16(19)10-9-15-21-22(20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,2,9-10,15H2,1H3 |
| InChIKey | ZDZDCBDQGZWACG-UHFFFAOYSA-N |
| Mol Weight | 316.34 g/mol |
| Molecular Formula | C18H21O3P |
| Exact Mass | 316.122832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9vxG84a1vz |
|---|---|
| Name | Phosphinic acid, diphenyl-, 4-oxohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.122831531 u |
| Formula | C18H21O3P |
| InChI | InChI=1S/C18H21O3P/c1-2-16(19)10-9-15-21-22(20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,2,9-10,15H2,1H3 |
| InChIKey | ZDZDCBDQGZWACG-UHFFFAOYSA-N |
| Molecular Weight | 316.337 g/mol |
| SMILES | C1(P(=O)(C=2C=CC=CC2)OCCCC(=O)CC)=CC=CC=C1 |