| SpectraBase Compound ID | 8ezk2ueCM92 |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-11(2)9-21-14(19)7-4-8-15(20)22-10-12-5-3-6-13(17)16(12)18/h3,5-6,11H,4,7-10H2,1-2H3 |
| InChIKey | LFKZQOMRPZHXNZ-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 | 3OCYuJfa27i |
|---|---|
| Name | Glutaric acid, 2,3-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)9-21-14(19)7-4-8-15(20)22-10-12-5-3-6-13(17)16(12)18/h3,5-6,11H,4,7-10H2,1-2H3 |
| InChIKey | LFKZQOMRPZHXNZ-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(OCC=1C=CC=C(Cl)C1Cl)(=O)CCCC(OCC(C)C)=O |