| SpectraBase Compound ID | FUk98mZXJ7Y |
|---|---|
| InChI | InChI=1S/C12H13Cl3O3/c1-12(2,3)18-11(16)6-17-10-5-8(14)7(13)4-9(10)15/h4-5H,6H2,1-3H3 |
| InChIKey | WFCKQHZKIFVNTQ-UHFFFAOYSA-N |
| Mol Weight | 311.59 g/mol |
| Molecular Formula | C12H13Cl3O3 |
| Exact Mass | 309.993027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hgw2ZZ6NLdQ |
|---|---|
| Name | Acetic acid,(2,4,5-trichlorophenoxy)-,tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.993027376 u |
| Formula | C12H13Cl3O3 |
| InChI | InChI=1S/C12H13Cl3O3/c1-12(2,3)18-11(16)6-17-10-5-8(14)7(13)4-9(10)15/h4-5H,6H2,1-3H3 |
| InChIKey | WFCKQHZKIFVNTQ-UHFFFAOYSA-N |
| Molecular Weight | 311.592 g/mol |
| SMILES | C1(=CC(=C(C=C1Cl)OCC(OC(C)(C)C)=O)Cl)Cl |