| SpectraBase Compound ID | IGcbFKBUMIq |
|---|---|
| InChI | InChI=1S/C12H8Cl6O4/c13-11(14,15)9(19)21-5-7-1-2-8(4-3-7)6-22-10(20)12(16,17)18/h1-4H,5-6H2 |
| InChIKey | BDIOSQBWEGIJEL-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 | HeEfCQhFv7c |
|---|---|
| Name | 4-(2,2,2-Trichloroacetoxymethyl)benzyl trichloroacetate |
| 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/c13-11(14,15)9(19)21-5-7-1-2-8(4-3-7)6-22-10(20)12(16,17)18/h1-4H,5-6H2 |
| InChIKey | BDIOSQBWEGIJEL-UHFFFAOYSA-N |
| Molecular Weight | 428.910 g/mol |
| SMILES | C1=CC(=CC=C1COC(C(Cl)(Cl)Cl)=O)COC(C(Cl)(Cl)Cl)=O |