| SpectraBase Compound ID | 6AZVnUVZIlf |
|---|---|
| InChI | InChI=1S/C14H16Cl2O4/c1-10-5-2-3-6-11(10)20-14(18)8-4-7-13(17)19-9-12(15)16/h2-3,5-6,12H,4,7-9H2,1H3 |
| InChIKey | XPHLYCYFAKQAQQ-UHFFFAOYSA-N |
| Mol Weight | 319.18 g/mol |
| Molecular Formula | C14H16Cl2O4 |
| Exact Mass | 318.042564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmhlHUXNHci |
|---|---|
| Name | Glutaric acid, 2,2-dichloroethyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.042564391 u |
| Formula | C14H16Cl2O4 |
| InChI | InChI=1S/C14H16Cl2O4/c1-10-5-2-3-6-11(10)20-14(18)8-4-7-13(17)19-9-12(15)16/h2-3,5-6,12H,4,7-9H2,1H3 |
| InChIKey | XPHLYCYFAKQAQQ-UHFFFAOYSA-N |
| Molecular Weight | 319.184 g/mol |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OC=1C(C)=CC=CC1)=O |