| SpectraBase Compound ID | 8yPdkw9crW1 |
|---|---|
| InChI | InChI=1S/C9H6Cl4O3/c10-6-1-3-7(4-2-6)16-8(14)15-5-9(11,12)13/h1-4H,5H2 |
| InChIKey | RETZDMQCOKIVNW-UHFFFAOYSA-N |
| Mol Weight | 304.0 g/mol |
| Molecular Formula | C9H6Cl4O3 |
| Exact Mass | 301.907105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20ThFC3DeB3 |
|---|---|
| Name | Carbonic acid, 2,2,2-trichloroethyl 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.907104850 u |
| Formula | C9H6Cl4O3 |
| InChI | InChI=1S/C9H6Cl4O3/c10-6-1-3-7(4-2-6)16-8(14)15-5-9(11,12)13/h1-4H,5H2 |
| InChIKey | RETZDMQCOKIVNW-UHFFFAOYSA-N |
| Molecular Weight | 303.956 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(OCC(Cl)(Cl)Cl)=O)Cl |