| SpectraBase Compound ID | 1js3j4w9mni |
|---|---|
| InChI | InChI=1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16) |
| InChIKey | BWRPEDIXOHZKFD-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C14H12O4 |
| Exact Mass | 244.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YcPVaOiVqz |
|---|---|
| Name | Diphenoxyacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.073558862 u |
| Formula | C14H12O4 |
| InChI | InChI=1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16) |
| InChIKey | BWRPEDIXOHZKFD-UHFFFAOYSA-N |
| Molecular Weight | 244.246 g/mol |
| SMILES | C1=CC=C(C=C1)OC(C(=O)O)OC1=CC=CC=C1 |