![4-[(4-Iodophenoxy)methyl]benzoic acid](/api/spectrum/4wRoY69yOCY/structure.png?h=300&w=458 "4-[(4-Iodophenoxy)methyl]benzoic acid")
| SpectraBase Compound ID | JEYm2wrEwB3 |
|---|---|
| InChI | InChI=1S/C14H11IO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17) |
| InChIKey | WTRXQLMREUPNNT-UHFFFAOYSA-N |
| Mol Weight | 354.14 g/mol |
| Molecular Formula | C14H11IO3 |
| Exact Mass | 353.975289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wRoY69yOCY |
|---|---|
| Name | 4-[(4-Iodophenoxy)methyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.975289211 u |
| Formula | C14H11IO3 |
| InChI | InChI=1S/C14H11IO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17) |
| InChIKey | WTRXQLMREUPNNT-UHFFFAOYSA-N |
| Molecular Weight | 354.143 g/mol |
| SMILES | OC(C=1C=CC(=CC1)COC=1C=CC(=CC1)I)=O |