| SpectraBase Compound ID | Hq25rSQYNYA |
|---|---|
| InChI | InChI=1S/C24H37IO4/c1-2-3-4-9-12-19-28-23(26)13-10-7-5-6-8-11-14-24(27)29-20-21-15-17-22(25)18-16-21/h15-18H,2-14,19-20H2,1H3 |
| InChIKey | NUAMLGYTJKAZAB-UHFFFAOYSA-N |
| Mol Weight | 516.5 g/mol |
| Molecular Formula | C24H37IO4 |
| Exact Mass | 516.173655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGP7N0GMyZV |
|---|---|
| Name | Sebacic acid, heptyl 4-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.173654667 u |
| Formula | C24H37IO4 |
| InChI | InChI=1S/C24H37IO4/c1-2-3-4-9-12-19-28-23(26)13-10-7-5-6-8-11-14-24(27)29-20-21-15-17-22(25)18-16-21/h15-18H,2-14,19-20H2,1H3 |
| InChIKey | NUAMLGYTJKAZAB-UHFFFAOYSA-N |
| Molecular Weight | 516.460 g/mol |
| SMILES | C(CCCCCCC(OCCCCCCC)=O)CC(OCC1=CC=C(C=C1)I)=O |