| SpectraBase Compound ID | IXvQYRmLBeM |
|---|---|
| InChI | InChI=1S/C14H16Cl2O4/c1-2-19-12(17)7-4-8-13(18)20-9-10-5-3-6-11(15)14(10)16/h3,5-6H,2,4,7-9H2,1H3 |
| InChIKey | VCRJKHHOODSIRM-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 | GpMhTNOLgaw |
|---|---|
| Name | Glutaric acid, 2,3-dichlorobenzyl ethyl 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/c1-2-19-12(17)7-4-8-13(18)20-9-10-5-3-6-11(15)14(10)16/h3,5-6H,2,4,7-9H2,1H3 |
| InChIKey | VCRJKHHOODSIRM-UHFFFAOYSA-N |
| Molecular Weight | 319.184 g/mol |
| SMILES | C(OCC=1C=CC=C(Cl)C1Cl)(=O)CCCC(OCC)=O |