| SpectraBase Compound ID | JhTkjujXRvw |
|---|---|
| InChI | InChI=1S/C22H16I2O4/c23-19-11-5-1-7-15(19)13-27-21(25)17-9-3-4-10-18(17)22(26)28-14-16-8-2-6-12-20(16)24/h1-12H,13-14H2 |
| InChIKey | YRIJVUJXGURSRW-UHFFFAOYSA-N |
| Mol Weight | 598.17 g/mol |
| Molecular Formula | C22H16I2O4 |
| Exact Mass | 597.913799 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 | 4IkEsXetq7z |
|---|---|
| Name | Phthalic acid, di(2-iodobenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 597.913798991 u |
| Formula | C22H16I2O4 |
| InChI | InChI=1S/C22H16I2O4/c23-19-11-5-1-7-15(19)13-27-21(25)17-9-3-4-10-18(17)22(26)28-14-16-8-2-6-12-20(16)24/h1-12H,13-14H2 |
| InChIKey | YRIJVUJXGURSRW-UHFFFAOYSA-N |
| Molecular Weight | 598.175 g/mol |
| SMILES | C1=CC(=C(C=C1)C(=O)OCC=1C=CC=CC1I)C(=O)OCC1=CC=CC=C1I |