![4-[(2-Chlorophenoxy)methyl]benzoic acid](/api/spectrum/A7idA62ngyI/structure.png?h=300&w=458 "4-[(2-Chlorophenoxy)methyl]benzoic acid")
| SpectraBase Compound ID | 3ZqOynPetjh |
|---|---|
| InChI | InChI=1S/C14H11ClO3/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17) |
| InChIKey | YJDZJDKPESDFTK-UHFFFAOYSA-N |
| Mol Weight | 262.69 g/mol |
| Molecular Formula | C14H11ClO3 |
| Exact Mass | 262.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7idA62ngyI |
|---|---|
| Name | 4-[(2-Chlorophenoxy)methyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.039671911 u |
| Formula | C14H11ClO3 |
| InChI | InChI=1S/C14H11ClO3/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17) |
| InChIKey | YJDZJDKPESDFTK-UHFFFAOYSA-N |
| Molecular Weight | 262.692 g/mol |
| SMILES | OC(C1=CC=C(COC2=C(Cl)C=CC=C2)C=C1)=O |