| SpectraBase Compound ID | LHAvwSojy9y |
|---|---|
| InChI | InChI=1S/C16H12Cl2O4/c1-2-21-15(19)11-5-3-4-6-12(11)16(20)22-14-9-10(17)7-8-13(14)18/h3-9H,2H2,1H3 |
| InChIKey | XQWTYJPKMBZHGN-UHFFFAOYSA-N |
| Mol Weight | 339.17 g/mol |
| Molecular Formula | C16H12Cl2O4 |
| Exact Mass | 338.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWq6nf3aJiM |
|---|---|
| Name | Phthalic acid, 2,5-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.011264262 u |
| Formula | C16H12Cl2O4 |
| InChI | InChI=1S/C16H12Cl2O4/c1-2-21-15(19)11-5-3-4-6-12(11)16(20)22-14-9-10(17)7-8-13(14)18/h3-9H,2H2,1H3 |
| InChIKey | XQWTYJPKMBZHGN-UHFFFAOYSA-N |
| Molecular Weight | 339.174 g/mol |
| SMILES | C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCC)=O |