| SpectraBase Compound ID | 1D66Suy3Fu5 |
|---|---|
| InChI | InChI=1S/C17H21INO3P/c1-3-21-23(20,22-4-2)17(14-8-6-5-7-9-14)19-16-12-10-15(18)11-13-16/h5-13,17,19H,3-4H2,1-2H3 |
| InChIKey | QHFANVWFHBHEEJ-UHFFFAOYSA-N |
| Mol Weight | 445.24 g/mol |
| Molecular Formula | C17H21INO3P |
| Exact Mass | 445.030376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76LUvYw2VGT |
|---|---|
| Name | Diethyl alpha-(para-iodophenyl)aminobenzylphosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 445.030375535 u |
| Formula | C17H21INO3P |
| InChI | InChI=1S/C17H21INO3P/c1-3-21-23(20,22-4-2)17(14-8-6-5-7-9-14)19-16-12-10-15(18)11-13-16/h5-13,17,19H,3-4H2,1-2H3 |
| InChIKey | QHFANVWFHBHEEJ-UHFFFAOYSA-N |
| Molecular Weight | 445.237 g/mol |
| SMILES | N(C(P(OCC)(=O)OCC)c1ccccc1)c1ccc(cc1)I |