![5-[(4-Fluorophenoxy)methyl]-2-furoic acid](/api/spectrum/AJ5gBZoIIZt/structure.png?h=300&w=458 "5-[(4-Fluorophenoxy)methyl]-2-furoic acid")
| SpectraBase Compound ID | INgt6AeeKq0 |
|---|---|
| InChI | InChI=1S/C12H9FO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15) |
| InChIKey | KYVUAHUKHLAOMK-UHFFFAOYSA-N |
| Mol Weight | 236.2 g/mol |
| Molecular Formula | C12H9FO4 |
| Exact Mass | 236.048487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJ5gBZoIIZt |
|---|---|
| Name | Furane-2-carboxylic acid, 5-(4-fluorophenoxymethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.048486929 u |
| Formula | C12H9FO4 |
| InChI | InChI=1S/C12H9FO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15) |
| InChIKey | KYVUAHUKHLAOMK-UHFFFAOYSA-N |
| Molecular Weight | 236.198 g/mol |
| SMILES | C=1(OC(COC=2C=CC(=CC2)F)=CC1)C(=O)O |