| SpectraBase Compound ID | D1VXxMvjM9D |
|---|---|
| InChI | InChI=1S/C23H35IO4/c1-2-3-4-13-18-27-22(25)16-9-7-5-6-8-10-17-23(26)28-19-20-14-11-12-15-21(20)24/h11-12,14-15H,2-10,13,16-19H2,1H3 |
| InChIKey | JDYBSTZMAWYSPC-UHFFFAOYSA-N |
| Mol Weight | 502.4 g/mol |
| Molecular Formula | C23H35IO4 |
| Exact Mass | 502.158005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DfNvnyR4ocy |
|---|---|
| Name | Sebacic acid, hexyl 2-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 502.158004603 u |
| Formula | C23H35IO4 |
| InChI | InChI=1S/C23H35IO4/c1-2-3-4-13-18-27-22(25)16-9-7-5-6-8-10-17-23(26)28-19-20-14-11-12-15-21(20)24/h11-12,14-15H,2-10,13,16-19H2,1H3 |
| InChIKey | JDYBSTZMAWYSPC-UHFFFAOYSA-N |
| Molecular Weight | 502.433 g/mol |
| SMILES | C(CCCCCCC(OCCCCCC)=O)CC(OCC=1C=CC=CC1I)=O |