| SpectraBase Compound ID | GU5gLrO6l6N |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-16(2,3)10-21-13(19)8-5-9-14(20)22-12-7-4-6-11(17)15(12)18/h4,6-7H,5,8-10H2,1-3H3 |
| InChIKey | LTJJQJKVXZWYEW-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 | 3O7Ql1iUgjC |
|---|---|
| Name | Glutaric acid, 2,3-dichlorophenyl neopentyl 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/c1-16(2,3)10-21-13(19)8-5-9-14(20)22-12-7-4-6-11(17)15(12)18/h4,6-7H,5,8-10H2,1-3H3 |
| InChIKey | LTJJQJKVXZWYEW-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OCC(C)(C)C)=O |