| SpectraBase Compound ID | 1TPjni5Nqro |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-10-5-3-6-12(11(10)2)21-15(19)8-4-7-14(18)20-9-13(16)17/h3,5-6,13H,4,7-9H2,1-2H3 |
| InChIKey | PYRUNQXXBFWWFT-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JH43kCpA6lE |
|---|---|
| Name | Glutaric acid, 2,2-dichloroethyl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-10-5-3-6-12(11(10)2)21-15(19)8-4-7-14(18)20-9-13(16)17/h3,5-6,13H,4,7-9H2,1-2H3 |
| InChIKey | PYRUNQXXBFWWFT-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OC1=C(C(C)=CC=C1)C)=O |