| SpectraBase Compound ID | 1ZsJS4guxNw |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-11(2)10-22-16(20)6-5-15(19)21-8-7-12-3-4-13(17)9-14(12)18/h3-4,9,11H,5-8,10H2,1-2H3 |
| InChIKey | SFIOYBKDFMBGAK-UHFFFAOYSA-N |
| Mol Weight | 347.24 g/mol |
| Molecular Formula | C16H20Cl2O4 |
| Exact Mass | 346.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J45vpUKXK41 |
|---|---|
| Name | Succinic acid, 2,4-dichlorophenethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.073864520 u |
| Formula | C16H20Cl2O4 |
| InChI | InChI=1S/C16H20Cl2O4/c1-11(2)10-22-16(20)6-5-15(19)21-8-7-12-3-4-13(17)9-14(12)18/h3-4,9,11H,5-8,10H2,1-2H3 |
| InChIKey | SFIOYBKDFMBGAK-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(CCC(OCCC1=CC=C(C=C1Cl)Cl)=O)(OCC(C)C)=O |