| SpectraBase Compound ID | BhaRD2XCjwv |
|---|---|
| InChI | InChI=1S/C18H16I2O4/c19-15-7-3-1-5-13(15)11-23-17(21)9-10-18(22)24-12-14-6-2-4-8-16(14)20/h1-8H,9-12H2 |
| InChIKey | ADNHWKMNJLAVIV-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 | 4cAZNzZv2ha |
|---|---|
| Name | Succinic acid, di(2-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/c19-15-7-3-1-5-13(15)11-23-17(21)9-10-18(22)24-12-14-6-2-4-8-16(14)20/h1-8H,9-12H2 |
| InChIKey | ADNHWKMNJLAVIV-UHFFFAOYSA-N |
| Molecular Weight | 550.131 g/mol |
| SMILES | C(CCC(OCC=1C(I)=CC=CC1)=O)(OCC1=CC=CC=C1I)=O |