| SpectraBase Compound ID | 1QtATA3hijZ |
|---|---|
| InChI | InChI=1S/C15H17O6P/c1-3-19-22(18,20-4-2)10-13(16)12-9-11-7-5-6-8-14(11)21-15(12)17/h5-9H,3-4,10H2,1-2H3 |
| InChIKey | BSXXDMPUCMPDSZ-UHFFFAOYSA-N |
| Mol Weight | 324.27 g/mol |
| Molecular Formula | C15H17O6P |
| Exact Mass | 324.076275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GaXC9IznVw1 |
|---|---|
| Name | 3-(2-Diethoxyphosphoryl-1-oxoethyl)-1-benzopyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.076275259 u |
| Formula | C15H17O6P |
| InChI | InChI=1S/C15H17O6P/c1-3-19-22(18,20-4-2)10-13(16)12-9-11-7-5-6-8-14(11)21-15(12)17/h5-9H,3-4,10H2,1-2H3 |
| InChIKey | BSXXDMPUCMPDSZ-UHFFFAOYSA-N |
| Molecular Weight | 324.269 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=CC=C2)=O)C(CP(=O)(OCC)OCC)=O |