| SpectraBase Compound ID | KFb6Y8FXhYF |
|---|---|
| InChI | InChI=1S/C15H19IO4/c1-2-10-19-14(17)4-3-5-15(18)20-11-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | DVPNSTBHKVYBNI-UHFFFAOYSA-N |
| Mol Weight | 390.22 g/mol |
| Molecular Formula | C15H19IO4 |
| Exact Mass | 390.032804 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Y6jdc7sPEz |
|---|---|
| Name | Glutaric acid, 4-iodobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.032804088 u |
| Formula | C15H19IO4 |
| InChI | InChI=1S/C15H19IO4/c1-2-10-19-14(17)4-3-5-15(18)20-11-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | DVPNSTBHKVYBNI-UHFFFAOYSA-N |
| Molecular Weight | 390.217 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)I)(=O)CCCC(OCCC)=O |