| SpectraBase Compound ID | 678DabtGPL3 |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-10(2)8-9-20-13(18)6-7-14(19)21-12-5-3-4-11(16)15(12)17/h3-5,10H,6-9H2,1-2H3 |
| InChIKey | CORLERVNTFQOMZ-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 | FxCgURQmWLr |
|---|---|
| Name | Succinic acid, 2,3-dichlorophenyl 3-methylbutyl 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)8-9-20-13(18)6-7-14(19)21-12-5-3-4-11(16)15(12)17/h3-5,10H,6-9H2,1-2H3 |
| InChIKey | CORLERVNTFQOMZ-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C1=C(C(Cl)=C(C=C1)OC(=O)CCC(OCCC(C)C)=O)Cl |