| SpectraBase Compound ID | 9IDV6ZzGT8w |
|---|---|
| InChI | InChI=1S/C13H9Cl7O4/c14-5(15)4-23-6(21)2-1-3-7(22)24-13-11(19)9(17)8(16)10(18)12(13)20/h5H,1-4H2 |
| InChIKey | VCXGEYSOEKFFEU-UHFFFAOYSA-N |
| Mol Weight | 477.4 g/mol |
| Molecular Formula | C13H9Cl7O4 |
| Exact Mass | 473.832053 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52uI8Ex7kzv |
|---|---|
| Name | Glutaric acid, 2,2-dichloroethyl pentachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 473.832052666 u |
| Formula | C13H9Cl7O4 |
| InChI | InChI=1S/C13H9Cl7O4/c14-5(15)4-23-6(21)2-1-3-7(22)24-13-11(19)9(17)8(16)10(18)12(13)20/h5H,1-4H2 |
| InChIKey | VCXGEYSOEKFFEU-UHFFFAOYSA-N |
| Molecular Weight | 477.382 g/mol |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O |