| SpectraBase Compound ID | 9vpsXr31q2w |
|---|---|
| InChI | InChI=1S/C9H10Cl6O4/c10-8(11,12)4-18-6(16)2-1-3-7(17)19-5-9(13,14)15/h1-5H2 |
| InChIKey | RJGJHHTZWFWBOD-UHFFFAOYSA-N |
| Mol Weight | 394.9 g/mol |
| Molecular Formula | C9H10Cl6O4 |
| Exact Mass | 391.871025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AD2CP1hHz70 |
|---|---|
| Name | Glutaric 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 | 391.871024998 u |
| Formula | C9H10Cl6O4 |
| InChI | InChI=1S/C9H10Cl6O4/c10-8(11,12)4-18-6(16)2-1-3-7(17)19-5-9(13,14)15/h1-5H2 |
| InChIKey | RJGJHHTZWFWBOD-UHFFFAOYSA-N |
| Molecular Weight | 394.893 g/mol |
| SMILES | C(COC(=O)CCCC(OCC(Cl)(Cl)Cl)=O)(Cl)(Cl)Cl |