| SpectraBase Compound ID | 4DTuzRO22P6 |
|---|---|
| InChI | InChI=1S/C20H15ClO3/c21-17-8-4-7-16(13-17)20(22)24-19-11-9-18(10-12-19)23-14-15-5-2-1-3-6-15/h1-13H,14H2 |
| InChIKey | OXDQIRUYOFHTSN-UHFFFAOYSA-N |
| Mol Weight | 338.79 g/mol |
| Molecular Formula | C20H15ClO3 |
| Exact Mass | 338.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHj3gdJlmki |
|---|---|
| Name | 3-Chlorobenzoic acid, 4-benzyloxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.070972040 u |
| Formula | C20H15ClO3 |
| InChI | InChI=1S/C20H15ClO3/c21-17-8-4-7-16(13-17)20(22)24-19-11-9-18(10-12-19)23-14-15-5-2-1-3-6-15/h1-13H,14H2 |
| InChIKey | OXDQIRUYOFHTSN-UHFFFAOYSA-N |
| Molecular Weight | 338.790 g/mol |
| SMILES | C1=C(C=CC=C1Cl)C(=O)OC1=CC=C(C=C1)OCC1=CC=CC=C1 |