| SpectraBase Compound ID | ESe66wVu7Fu |
|---|---|
| InChI | InChI=1S/C14H9IO3/c15-12-3-1-2-11(8-12)14(17)18-13-6-4-10(9-16)5-7-13/h1-9H |
| InChIKey | KXKJJQZEXGUNNV-UHFFFAOYSA-N |
| Mol Weight | 352.13 g/mol |
| Molecular Formula | C14H9IO3 |
| Exact Mass | 351.959639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8doYVmc87E8 |
|---|---|
| Name | 3-Iodo-benzoic acid 4-formyl-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.959639147 u |
| Formula | C14H9IO3 |
| InChI | InChI=1S/C14H9IO3/c15-12-3-1-2-11(8-12)14(17)18-13-6-4-10(9-16)5-7-13/h1-9H |
| InChIKey | KXKJJQZEXGUNNV-UHFFFAOYSA-N |
| Molecular Weight | 352.127 g/mol |
| SMILES | C1(C(OC2=CC=C(C=O)C=C2)=O)=CC(=CC=C1)I |