| SpectraBase Compound ID | 9O1bKbQJ4dV |
|---|---|
| InChI | InChI=1S/C18H16I2O4/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2 |
| InChIKey | FXNGDLFMXCRAQM-UHFFFAOYSA-N |
| Mol Weight | 550.13 g/mol |
| Molecular Formula | C18H16I2O4 |
| Exact Mass | 549.913799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ReY752HQhZ |
|---|---|
| Name | Succinic acid, di(4-iodobenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 549.913798991 u |
| Formula | C18H16I2O4 |
| InChI | InChI=1S/C18H16I2O4/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2 |
| InChIKey | FXNGDLFMXCRAQM-UHFFFAOYSA-N |
| Molecular Weight | 550.131 g/mol |
| SMILES | C1(=CC=C(C=C1)COC(=O)CCC(OCC1=CC=C(C=C1)I)=O)I |