| SpectraBase Compound ID | JX51aLRafxw |
|---|---|
| InChI | InChI=1S/C19H16IO2P/c20-19-14-8-7-9-16(19)15-22-23(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2/i1D,2D,3D,4D,5D,6D,10D,11D,12D,13D,15D2 |
| InChIKey | YQRAMCUJENKNSE-FZYMNSETSA-N |
| Mol Weight | 446.29 g/mol |
| Molecular Formula | C19H42H12IO2P |
| Exact Mass | 446.068583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ylVoyx73PO |
|---|---|
| Name | o-(Ortho-iodobenzyl-D(2))-di-(phenyl-D(5))-phosphinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.068582702 u |
| Formula | C19H4[2H]12IO2P |
| InChI | InChI=1S/C19H16IO2P/c20-19-14-8-7-9-16(19)15-22-23(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2/i1D,2D,3D,4D,5D,6D,10D,11D,12D,13D,15D2 |
| InChIKey | YQRAMCUJENKNSE-FZYMNSETSA-N |
| Molecular Weight | 446.286 g/mol |
| Nominal Mass | 446 u |
| SMILES | C1(I)=C(C([2H])([2H])OP(C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])(C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])=O)C=CC=C1 |