| SpectraBase Compound ID | 2N80oYYdzot |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-5-6-11-22-16(20)13-7-9-14(10-8-13)17(21)23-12-15(18)19/h7-10,15H,2-6,11-12H2,1H3 |
| InChIKey | ABGGPJXFOZFNSE-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C17H22Cl2O4 |
| Exact Mass | 360.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VvYv3gCXjG |
|---|---|
| Name | Terephthalic acid, 2,2-dichloroethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.089514584 u |
| Formula | C17H22Cl2O4 |
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-5-6-11-22-16(20)13-7-9-14(10-8-13)17(21)23-12-15(18)19/h7-10,15H,2-6,11-12H2,1H3 |
| InChIKey | ABGGPJXFOZFNSE-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCC)=O)C(OCC(Cl)Cl)=O |