| SpectraBase Compound ID | Fwz54sHAHE4 |
|---|---|
| InChI | InChI=1S/C20H28Cl2O4/c1-2-3-4-5-6-7-8-9-14-25-19(23)16-10-12-17(13-11-16)20(24)26-15-18(21)22/h10-13,18H,2-9,14-15H2,1H3 |
| InChIKey | GOZUFXQUSQRGOK-UHFFFAOYSA-N |
| Mol Weight | 403.35 g/mol |
| Molecular Formula | C20H28Cl2O4 |
| Exact Mass | 402.136465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9tFuw9DbWjN |
|---|---|
| Name | Terephthalic acid, decyl 2,2-dichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.136464778 u |
| Formula | C20H28Cl2O4 |
| InChI | InChI=1S/C20H28Cl2O4/c1-2-3-4-5-6-7-8-9-14-25-19(23)16-10-12-17(13-11-16)20(24)26-15-18(21)22/h10-13,18H,2-9,14-15H2,1H3 |
| InChIKey | GOZUFXQUSQRGOK-UHFFFAOYSA-N |
| Molecular Weight | 403.346 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCCCCC)=O)C(OCC(Cl)Cl)=O |