| SpectraBase Compound ID | 7QJmdLhkjGR |
|---|---|
| InChI | InChI=1S/C21H30Cl2O4/c1-2-3-4-5-6-7-8-9-16-26-19(24)14-11-15-20(25)27-18-13-10-12-17(22)21(18)23/h10,12-13H,2-9,11,14-16H2,1H3 |
| InChIKey | CCJQLWDSCQPBMC-UHFFFAOYSA-N |
| Mol Weight | 417.37 g/mol |
| Molecular Formula | C21H30Cl2O4 |
| Exact Mass | 416.152115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JStIjViA5H |
|---|---|
| Name | Glutaric acid, decyl 2,3-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.152114842 u |
| Formula | C21H30Cl2O4 |
| InChI | InChI=1S/C21H30Cl2O4/c1-2-3-4-5-6-7-8-9-16-26-19(24)14-11-15-20(25)27-18-13-10-12-17(22)21(18)23/h10,12-13H,2-9,11,14-16H2,1H3 |
| InChIKey | CCJQLWDSCQPBMC-UHFFFAOYSA-N |
| Molecular Weight | 417.373 g/mol |
| SMILES | CCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1Cl)Cl)=O)=O |