| SpectraBase Compound ID | K88XpLxh49t |
|---|---|
| InChI | InChI=1S/C19H27IO4/c1-2-23-18(21)9-7-5-3-4-6-8-10-19(22)24-15-16-11-13-17(20)14-12-16/h11-14H,2-10,15H2,1H3 |
| InChIKey | BOTQKKPOOVEGPS-UHFFFAOYSA-N |
| Mol Weight | 446.33 g/mol |
| Molecular Formula | C19H27IO4 |
| Exact Mass | 446.095404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqMnQwukxsq |
|---|---|
| Name | Sebacic acid, ethyl 4-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.095404345 u |
| Formula | C19H27IO4 |
| InChI | InChI=1S/C19H27IO4/c1-2-23-18(21)9-7-5-3-4-6-8-10-19(22)24-15-16-11-13-17(20)14-12-16/h11-14H,2-10,15H2,1H3 |
| InChIKey | BOTQKKPOOVEGPS-UHFFFAOYSA-N |
| Molecular Weight | 446.325 g/mol |
| SMILES | C(CCCCCCC(OCC)=O)CC(OCC1=CC=C(C=C1)I)=O |