| SpectraBase Compound ID | 1mXT6nyYXb0 |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-2-3-4-10-21-14(19)8-9-15(20)22-11-12-6-5-7-13(17)16(12)18/h5-7H,2-4,8-11H2,1H3 |
| InChIKey | OCBDUJSICFQVMT-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 | 3MoyGfwBv34 |
|---|---|
| Name | Succinic acid, 2,3-dichlorobenzyl pentyl 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/c1-2-3-4-10-21-14(19)8-9-15(20)22-11-12-6-5-7-13(17)16(12)18/h5-7H,2-4,8-11H2,1H3 |
| InChIKey | OCBDUJSICFQVMT-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C1=CC=C(C(=C1Cl)Cl)COC(=O)CCC(OCCCCC)=O |