| SpectraBase Compound ID | 3XdAnHzWpRE |
|---|---|
| InChI | InChI=1S/C14H16Cl2O4/c1-9(15)7-19-13(17)11-3-5-12(6-4-11)14(18)20-8-10(2)16/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | ZOOAVOVMTQMWLW-UHFFFAOYSA-N |
| Mol Weight | 319.18 g/mol |
| Molecular Formula | C14H16Cl2O4 |
| Exact Mass | 318.042564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oMXKgWijwQ |
|---|---|
| Name | Terephthalic acid, di(2-chloropropyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.042564391 u |
| Formula | C14H16Cl2O4 |
| InChI | InChI=1S/C14H16Cl2O4/c1-9(15)7-19-13(17)11-3-5-12(6-4-11)14(18)20-8-10(2)16/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | ZOOAVOVMTQMWLW-UHFFFAOYSA-N |
| Molecular Weight | 319.184 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCC(C)Cl)=O |