| SpectraBase Compound ID | 9wzgTzYvSXW |
|---|---|
| InChI | InChI=1S/C19H18I2O4/c20-16-8-4-14(5-9-16)12-24-18(22)2-1-3-19(23)25-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2 |
| InChIKey | CPFMCYWLWCXEMB-UHFFFAOYSA-N |
| Mol Weight | 564.16 g/mol |
| Molecular Formula | C19H18I2O4 |
| Exact Mass | 563.929449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GVrvwxQGti |
|---|---|
| Name | Glutaric acid, di(4-iodobenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 563.929449056 u |
| Formula | C19H18I2O4 |
| InChI | InChI=1S/C19H18I2O4/c20-16-8-4-14(5-9-16)12-24-18(22)2-1-3-19(23)25-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2 |
| InChIKey | CPFMCYWLWCXEMB-UHFFFAOYSA-N |
| Molecular Weight | 564.158 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)I)(=O)CCCC(OCC1=CC=C(C=C1)I)=O |