| SpectraBase Compound ID | 3IkkgT54yCc |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-11(2)9-21-15(19)4-3-5-16(20)22-10-12-8-13(17)6-7-14(12)18/h6-8,11H,3-5,9-10H2,1-2H3 |
| InChIKey | HLCRBLOIASLWPW-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 | HHDJzCGfVBL |
|---|---|
| Name | Glutaric acid, 2,5-dichlorobenzyl 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)9-21-15(19)4-3-5-16(20)22-10-12-8-13(17)6-7-14(12)18/h6-8,11H,3-5,9-10H2,1-2H3 |
| InChIKey | HLCRBLOIASLWPW-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(OCC1=CC(=CC=C1Cl)Cl)(=O)CCCC(=O)OCC(C)C |