| SpectraBase Compound ID | 7WOezqzLlMJ |
|---|---|
| InChI | InChI=1S/C20H20Cl2O4/c21-17-5-1-3-15(13-17)9-11-25-19(23)7-8-20(24)26-12-10-16-4-2-6-18(22)14-16/h1-6,13-14H,7-12H2 |
| InChIKey | SPSPXJOGMONXQB-UHFFFAOYSA-N |
| Mol Weight | 395.28 g/mol |
| Molecular Formula | C20H20Cl2O4 |
| Exact Mass | 394.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLGTDvYO0vI |
|---|---|
| Name | Succinic acid, di(3-chlorophenethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.073864520 u |
| Formula | C20H20Cl2O4 |
| InChI | InChI=1S/C20H20Cl2O4/c21-17-5-1-3-15(13-17)9-11-25-19(23)7-8-20(24)26-12-10-16-4-2-6-18(22)14-16/h1-6,13-14H,7-12H2 |
| InChIKey | SPSPXJOGMONXQB-UHFFFAOYSA-N |
| Molecular Weight | 395.282 g/mol |
| SMILES | C(CCC(OCCC1=CC(=CC=C1)Cl)=O)(OCCC1=CC(=CC=C1)Cl)=O |