| SpectraBase Compound ID | FlLFSJbjrHY |
|---|---|
| InChI | InChI=1S/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3 |
| InChIKey | FNEXNZUHBCBQTI-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 | 6Xu7XqY9OaO |
|---|---|
| Name | Acetic acid, (2,4,5-trichlorophenoxy)-, 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/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3 |
| InChIKey | FNEXNZUHBCBQTI-UHFFFAOYSA-N |
| Molecular Weight | 311.592 g/mol |
| SMILES | C(OC1=C(Cl)C=C(C(=C1)Cl)Cl)C(OCCCC)=O |