| SpectraBase Compound ID | 5TlMJ4cb2fn |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-2-3-4-5-10-21-15(19)12-6-8-13(9-7-12)16(20)22-11-14(17)18/h6-9,14H,2-5,10-11H2,1H3 |
| InChIKey | PLWSOSCJUKVFBC-UHFFFAOYSA-N |
| Mol Weight | 347.24 g/mol |
| Molecular Formula | C16H20Cl2O4 |
| Exact Mass | 346.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmOTC13o3NQ |
|---|---|
| Name | Terephthalic acid, 2,2-dichloroethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.073864520 u |
| Formula | C16H20Cl2O4 |
| InChI | InChI=1S/C16H20Cl2O4/c1-2-3-4-5-10-21-15(19)12-6-8-13(9-7-12)16(20)22-11-14(17)18/h6-9,14H,2-5,10-11H2,1H3 |
| InChIKey | PLWSOSCJUKVFBC-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCC)=O)C(OCC(Cl)Cl)=O |