| SpectraBase Compound ID | gissi7e6fJ |
|---|---|
| InChI | InChI=1S/C22H33IO4/c1-2-3-4-5-6-7-8-11-17-26-21(24)15-12-16-22(25)27-18-19-13-9-10-14-20(19)23/h9-10,13-14H,2-8,11-12,15-18H2,1H3 |
| InChIKey | YWVXFRIDHUQTHF-UHFFFAOYSA-N |
| Mol Weight | 488.4 g/mol |
| Molecular Formula | C22H33IO4 |
| Exact Mass | 488.142355 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GqQJOR74NE |
|---|---|
| Name | Glutaric acid, decyl 2-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.142354539 u |
| Formula | C22H33IO4 |
| InChI | InChI=1S/C22H33IO4/c1-2-3-4-5-6-7-8-11-17-26-21(24)15-12-16-22(25)27-18-19-13-9-10-14-20(19)23/h9-10,13-14H,2-8,11-12,15-18H2,1H3 |
| InChIKey | YWVXFRIDHUQTHF-UHFFFAOYSA-N |
| Molecular Weight | 488.406 g/mol |
| SMILES | C(OCC1=C(C=CC=C1)I)(=O)CCCC(OCCCCCCCCCC)=O |