| SpectraBase Compound ID | 2HjL8WVbwba |
|---|---|
| InChI | InChI=1S/C14H16Cl2O4/c1-2-3-8-19-13(17)10-4-6-11(7-5-10)14(18)20-9-12(15)16/h4-7,12H,2-3,8-9H2,1H3 |
| InChIKey | BNJZLSJZNILXGC-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 | KEgEJnVtOi |
|---|---|
| Name | Terephthalic acid, butyl 2,2-dichloroethyl 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/c1-2-3-8-19-13(17)10-4-6-11(7-5-10)14(18)20-9-12(15)16/h4-7,12H,2-3,8-9H2,1H3 |
| InChIKey | BNJZLSJZNILXGC-UHFFFAOYSA-N |
| Molecular Weight | 319.184 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCC)=O)C(OCC(Cl)Cl)=O |