| SpectraBase Compound ID | IdBX8PFSuj0 |
|---|---|
| InChI | InChI=1S/C14H17IO4/c1-2-18-13(16)7-4-8-14(17)19-10-11-5-3-6-12(15)9-11/h3,5-6,9H,2,4,7-8,10H2,1H3 |
| InChIKey | DGXKRETZBHVFLP-UHFFFAOYSA-N |
| Mol Weight | 376.19 g/mol |
| Molecular Formula | C14H17IO4 |
| Exact Mass | 376.017154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6z0n4GvYrwH |
|---|---|
| Name | Glutaric acid, ethyl 3-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.017154023 u |
| Formula | C14H17IO4 |
| InChI | InChI=1S/C14H17IO4/c1-2-18-13(16)7-4-8-14(17)19-10-11-5-3-6-12(15)9-11/h3,5-6,9H,2,4,7-8,10H2,1H3 |
| InChIKey | DGXKRETZBHVFLP-UHFFFAOYSA-N |
| Molecular Weight | 376.190 g/mol |
| SMILES | C(OCC1=CC=CC(=C1)I)(=O)CCCC(OCC)=O |