| SpectraBase Compound ID | 8enxFL4DXIi |
|---|---|
| InChI | InChI=1S/C16H13ClO4/c1-2-20-15(18)11-6-8-12(9-7-11)16(19)21-14-5-3-4-13(17)10-14/h3-10H,2H2,1H3 |
| InChIKey | ZCQQNLZCCYYKJN-UHFFFAOYSA-N |
| Mol Weight | 304.73 g/mol |
| Molecular Formula | C16H13ClO4 |
| Exact Mass | 304.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYEVXwGuUFc |
|---|---|
| Name | Terephthalic acid, 3-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.050236595 u |
| Formula | C16H13ClO4 |
| InChI | InChI=1S/C16H13ClO4/c1-2-20-15(18)11-6-8-12(9-7-11)16(19)21-14-5-3-4-13(17)10-14/h3-10H,2H2,1H3 |
| InChIKey | ZCQQNLZCCYYKJN-UHFFFAOYSA-N |
| Molecular Weight | 304.729 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCC)=O)C(OC=1C=CC=C(C1)Cl)=O |