| SpectraBase Compound ID | JEyN7uxXM1m |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-3-6-11(4-2)21-14(19)9-10-15(20)22-13-8-5-7-12(17)16(13)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3 |
| InChIKey | KHNKNAGYMSVOPY-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 | C3CAb7r9J3q |
|---|---|
| Name | Succinic acid, 2,3-dichlorophenyl 3-hexyl 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/c1-3-6-11(4-2)21-14(19)9-10-15(20)22-13-8-5-7-12(17)16(13)18/h5,7-8,11H,3-4,6,9-10H2,1-2H3 |
| InChIKey | KHNKNAGYMSVOPY-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(CC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC(CCC)CC)=O |