| SpectraBase Compound ID | 647png7yDSr |
|---|---|
| InChI | InChI=1S/C17H20Cl4O4/c1-10(2)5-4-8-24-13(22)6-3-7-14(23)25-17-15(20)11(18)9-12(19)16(17)21/h9-10H,3-8H2,1-2H3 |
| InChIKey | NUJUXSBEAAGYLG-UHFFFAOYSA-N |
| Mol Weight | 430.2 g/mol |
| Molecular Formula | C17H20Cl4O4 |
| Exact Mass | 428.01157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPIgCKKLcEi |
|---|---|
| Name | Glutaric acid, isohexyl 2,3,5,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.011569920 u |
| Formula | C17H20Cl4O4 |
| InChI | InChI=1S/C17H20Cl4O4/c1-10(2)5-4-8-24-13(22)6-3-7-14(23)25-17-15(20)11(18)9-12(19)16(17)21/h9-10H,3-8H2,1-2H3 |
| InChIKey | NUJUXSBEAAGYLG-UHFFFAOYSA-N |
| Molecular Weight | 430.155 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=C(C(=CC(=C1Cl)Cl)Cl)Cl)=O)=O |