| SpectraBase Compound ID | LIAX9fKPRAs |
|---|---|
| InChI | InChI=1S/C12H15IO3/c1-2-15-12(14)8-5-9-16-11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey | CKDUWOMNBUITEH-UHFFFAOYSA-N |
| Mol Weight | 334.15 g/mol |
| Molecular Formula | C12H15IO3 |
| Exact Mass | 334.006589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5WISqrrv7cn |
|---|---|
| Name | 4-(2-Iodophenoxy)butyric acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.006589340 u |
| Formula | C12H15IO3 |
| InChI | InChI=1S/C12H15IO3/c1-2-15-12(14)8-5-9-16-11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey | CKDUWOMNBUITEH-UHFFFAOYSA-N |
| Molecular Weight | 334.153 g/mol |
| SMILES | C(=O)(OCC)CCCOC1=C(I)C=CC=C1 |