| SpectraBase Compound ID | 4g4uFaWYIqS |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-2-9-21-15(19)4-3-5-16(20)22-10-8-12-6-7-13(17)11-14(12)18/h6-7,11H,2-5,8-10H2,1H3 |
| InChIKey | WCYIZFXFLOIFOA-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 | 34n3QJ5Et8m |
|---|---|
| Name | Glutaric acid, 2-(2,4-dichlorophenyl)ethyl propyl 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/c1-2-9-21-15(19)4-3-5-16(20)22-10-8-12-6-7-13(17)11-14(12)18/h6-7,11H,2-5,8-10H2,1H3 |
| InChIKey | WCYIZFXFLOIFOA-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(OCCC1=CC=C(C=C1Cl)Cl)(=O)CCCC(OCCC)=O |