| SpectraBase Compound ID | 7Hw9Lyro9ZB |
|---|---|
| InChI | InChI=1S/C12H13Cl3O2/c1-3-7(4-2)12(16)17-11-6-9(14)8(13)5-10(11)15/h5-7H,3-4H2,1-2H3 |
| InChIKey | LGXQUAYDSYCGBF-UHFFFAOYSA-N |
| Mol Weight | 295.59 g/mol |
| Molecular Formula | C12H13Cl3O2 |
| Exact Mass | 293.998113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82KAmMuK2L5 |
|---|---|
| Name | 2-Ethylbutyric acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.998112757 u |
| Formula | C12H13Cl3O2 |
| InChI | InChI=1S/C12H13Cl3O2/c1-3-7(4-2)12(16)17-11-6-9(14)8(13)5-10(11)15/h5-7H,3-4H2,1-2H3 |
| InChIKey | LGXQUAYDSYCGBF-UHFFFAOYSA-N |
| Molecular Weight | 295.593 g/mol |
| SMILES | C1(=CC(Cl)=C(C=C1Cl)OC(=O)C(CC)CC)Cl |