| SpectraBase Compound ID | 5zxdv2CMbFw |
|---|---|
| InChI | InChI=1S/C15H16Cl4O4/c1-2-3-7-22-11(20)5-4-6-12(21)23-10-8-9(16)13(17)15(19)14(10)18/h8H,2-7H2,1H3 |
| InChIKey | GTQVTAFWWYBLAF-UHFFFAOYSA-N |
| Mol Weight | 402.1 g/mol |
| Molecular Formula | C15H16Cl4O4 |
| Exact Mass | 399.98027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lss4IW5tCML |
|---|---|
| Name | Glutaric acid, butyl 2,3,4,5-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.980269791 u |
| Formula | C15H16Cl4O4 |
| InChI | InChI=1S/C15H16Cl4O4/c1-2-3-7-22-11(20)5-4-6-12(21)23-10-8-9(16)13(17)15(19)14(10)18/h8H,2-7H2,1H3 |
| InChIKey | GTQVTAFWWYBLAF-UHFFFAOYSA-N |
| Molecular Weight | 402.101 g/mol |
| SMILES | CCCCOC(CCCC(OC1=C(C(=C(C(=C1)Cl)Cl)Cl)Cl)=O)=O |