| SpectraBase Compound ID | Kk8pJ7ml59D |
|---|---|
| InChI | InChI=1S/C24H28I2O4/c25-21-13-9-19(10-14-21)17-29-23(27)7-5-3-1-2-4-6-8-24(28)30-18-20-11-15-22(26)16-12-20/h9-16H,1-8,17-18H2 |
| InChIKey | XKCDVIUBMFPZKE-UHFFFAOYSA-N |
| Mol Weight | 634.29 g/mol |
| Molecular Formula | C24H28I2O4 |
| Exact Mass | 634.007699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bsIWNaUNUN |
|---|---|
| Name | Sebacic acid, di(4-iodobenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 634.007699378 u |
| Formula | C24H28I2O4 |
| InChI | InChI=1S/C24H28I2O4/c25-21-13-9-19(10-14-21)17-29-23(27)7-5-3-1-2-4-6-8-24(28)30-18-20-11-15-22(26)16-12-20/h9-16H,1-8,17-18H2 |
| InChIKey | XKCDVIUBMFPZKE-UHFFFAOYSA-N |
| Molecular Weight | 634.293 g/mol |
| SMILES | C(CCCCCCC(OCC1=CC=C(C=C1)I)=O)CC(OCC1=CC=C(C=C1)I)=O |