| SpectraBase Compound ID | 5WFlU6qsx2u |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-10(2)8-20-14(18)5-6-15(19)21-9-11-3-4-12(16)7-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3 |
| InChIKey | JSXMWLPPRDPWSQ-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 | Ly4e37tuq6I |
|---|---|
| Name | Succinic acid, 2,4-dichlorobenzyl isobutyl 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/c1-10(2)8-20-14(18)5-6-15(19)21-9-11-3-4-12(16)7-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3 |
| InChIKey | JSXMWLPPRDPWSQ-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C(CCC(OCC1=CC=C(C=C1Cl)Cl)=O)(OCC(C)C)=O |