| SpectraBase Compound ID | KQKg5isb9TL |
|---|---|
| InChI | InChI=1S/C20H28Cl2O4/c21-12-5-1-3-7-14-25-19(23)17-10-9-11-18(16-17)20(24)26-15-8-4-2-6-13-22/h9-11,16H,1-8,12-15H2 |
| InChIKey | YGMDXZHNVRXBEG-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 | Q1pRJHyzbB |
|---|---|
| Name | Isophthalic acid, di(6-chlorohexyl) 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/c21-12-5-1-3-7-14-25-19(23)17-10-9-11-18(16-17)20(24)26-15-8-4-2-6-13-22/h9-11,16H,1-8,12-15H2 |
| InChIKey | YGMDXZHNVRXBEG-UHFFFAOYSA-N |
| Molecular Weight | 403.346 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCCCCCl)=O)(OCCCCCCCl)=O |