| SpectraBase Compound ID | BRdHPRvPWt7 |
|---|---|
| InChI | InChI=1S/C12H8Cl6O4/c13-6-3-7(14)11(8(15)4-6)22-10(20)2-1-9(19)21-5-12(16,17)18/h3-4H,1-2,5H2 |
| InChIKey | GNXCORFQNNSESA-UHFFFAOYSA-N |
| Mol Weight | 428.9 g/mol |
| Molecular Formula | C12H8Cl6O4 |
| Exact Mass | 425.855375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQWVgDmGokG |
|---|---|
| Name | Succinic acid, 2,4,6-trichlorophenyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.855374934 u |
| Formula | C12H8Cl6O4 |
| InChI | InChI=1S/C12H8Cl6O4/c13-6-3-7(14)11(8(15)4-6)22-10(20)2-1-9(19)21-5-12(16,17)18/h3-4H,1-2,5H2 |
| InChIKey | GNXCORFQNNSESA-UHFFFAOYSA-N |
| Molecular Weight | 428.910 g/mol |
| SMILES | C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCC(Cl)(Cl)Cl)=O |