| SpectraBase Compound ID | BQyhZwfNin3 |
|---|---|
| InChI | InChI=1S/C17H23IO4/c1-2-3-4-12-21-16(19)6-5-7-17(20)22-13-14-8-10-15(18)11-9-14/h8-11H,2-7,12-13H2,1H3 |
| InChIKey | GBXPXDSDYFUSKW-UHFFFAOYSA-N |
| Mol Weight | 418.27 g/mol |
| Molecular Formula | C17H23IO4 |
| Exact Mass | 418.064104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSjWCE5ejMK |
|---|---|
| Name | Glutaric acid, 4-iodobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.064104217 u |
| Formula | C17H23IO4 |
| InChI | InChI=1S/C17H23IO4/c1-2-3-4-12-21-16(19)6-5-7-17(20)22-13-14-8-10-15(18)11-9-14/h8-11H,2-7,12-13H2,1H3 |
| InChIKey | GBXPXDSDYFUSKW-UHFFFAOYSA-N |
| Molecular Weight | 418.271 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)I)(=O)CCCC(OCCCCC)=O |