| SpectraBase Compound ID | JQOMyzQYUgB |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-2-3-4-9-20-14(18)11-5-7-12(8-6-11)15(19)21-10-13(16)17/h5-8,13H,2-4,9-10H2,1H3 |
| InChIKey | SVHGCUIONYMSPI-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RHosjDPIqE |
|---|---|
| Name | Terephthalic acid, 2,2-dichloroethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-2-3-4-9-20-14(18)11-5-7-12(8-6-11)15(19)21-10-13(16)17/h5-8,13H,2-4,9-10H2,1H3 |
| InChIKey | SVHGCUIONYMSPI-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCC)=O)C(OCC(Cl)Cl)=O |