| SpectraBase Compound ID | 8lZqOoU9ZkQ |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-5-11-22-16(20)7-6-8-17(21)23-15-12-13(18)9-10-14(15)19/h9-10,12H,2-8,11H2,1H3 |
| InChIKey | BRYMSZROPPNAJJ-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C17H22Cl2O4 |
| Exact Mass | 360.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUYlgn48mzw |
|---|---|
| Name | Glutaric acid, 2,5-dichlorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.089514584 u |
| Formula | C17H22Cl2O4 |
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-5-11-22-16(20)7-6-8-17(21)23-15-12-13(18)9-10-14(15)19/h9-10,12H,2-8,11H2,1H3 |
| InChIKey | BRYMSZROPPNAJJ-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC(=CC=C1Cl)Cl)=O)=O |