| SpectraBase Compound ID | B5X5ydzTsqW |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-11-22-15(20)9-6-10-16(21)23-12-13-7-5-8-14(18)17(13)19/h5,7-8H,2-4,6,9-12H2,1H3 |
| InChIKey | FTCGJUDAISMJAF-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 | JijRFvXD3oJ |
|---|---|
| Name | Glutaric acid, 2,3-dichlorobenzyl pentyl 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/c1-2-3-4-11-22-15(20)9-6-10-16(21)23-12-13-7-5-8-14(18)17(13)19/h5,7-8H,2-4,6,9-12H2,1H3 |
| InChIKey | FTCGJUDAISMJAF-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(OCC=1C=CC=C(Cl)C1Cl)(=O)CCCC(OCCCCC)=O |