| SpectraBase Compound ID | DDLo3mInZwS |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-2-12(11-6-4-3-5-7-11)21-15(19)9-8-14(18)20-10-13(16)17/h3-7,12-13H,2,8-10H2,1H3 |
| InChIKey | KQUHSOMAGSNQBG-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 | H9Q8AfByeil |
|---|---|
| Name | Succinic acid, 2,2-dichloroethyl 1-phenylpropyl 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/c1-2-12(11-6-4-3-5-7-11)21-15(19)9-8-14(18)20-10-13(16)17/h3-7,12-13H,2,8-10H2,1H3 |
| InChIKey | KQUHSOMAGSNQBG-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C(CC(OCC(Cl)Cl)=O)C(OC(CC)C1=CC=CC=C1)=O |