| SpectraBase Compound ID | BgUIyItBKYf |
|---|---|
| InChI | InChI=1S/C14H16Cl2O4/c1-2-19-13(17)5-3-4-6-14(18)20-10-7-8-11(15)12(16)9-10/h7-9H,2-6H2,1H3 |
| InChIKey | LWZMSMZDZCYZMQ-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 | 17D2PuaDVmd |
|---|---|
| Name | Adipic acid, 3,4-dichlorophenyl 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/c1-2-19-13(17)5-3-4-6-14(18)20-10-7-8-11(15)12(16)9-10/h7-9H,2-6H2,1H3 |
| InChIKey | LWZMSMZDZCYZMQ-UHFFFAOYSA-N |
| Molecular Weight | 319.184 g/mol |
| SMILES | C(CC(=O)OC=1C=CC(=C(C1)Cl)Cl)CCC(OCC)=O |