| SpectraBase Compound ID | FRkGS7FGDcP |
|---|---|
| InChI | InChI=1S/C14H20Cl6O4/c15-13(16,17)9-23-11(21)7-5-3-1-2-4-6-8-12(22)24-10-14(18,19)20/h1-10H2 |
| InChIKey | XMZNZRMANMWYRT-UHFFFAOYSA-N |
| Mol Weight | 465.0 g/mol |
| Molecular Formula | C14H20Cl6O4 |
| Exact Mass | 461.949275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6dWB4Ui5X5 |
|---|---|
| Name | Sebacic acid, di(2,2,2-trichloroethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.949275320 u |
| Formula | C14H20Cl6O4 |
| InChI | InChI=1S/C14H20Cl6O4/c15-13(16,17)9-23-11(21)7-5-3-1-2-4-6-8-12(22)24-10-14(18,19)20/h1-10H2 |
| InChIKey | XMZNZRMANMWYRT-UHFFFAOYSA-N |
| Molecular Weight | 465.028 g/mol |
| SMILES | C(CCCCC(OCC(Cl)(Cl)Cl)=O)CCCC(OCC(Cl)(Cl)Cl)=O |