| SpectraBase Compound ID | 3H0mzkG7QCO |
|---|---|
| InChI | InChI=1S/C11H11Cl3O2/c1-6(2)3-11(15)16-10-5-8(13)7(12)4-9(10)14/h4-6H,3H2,1-2H3 |
| InChIKey | JAPFIXZLXNGZGL-UHFFFAOYSA-N |
| Mol Weight | 281.57 g/mol |
| Molecular Formula | C11H11Cl3O2 |
| Exact Mass | 279.982463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GACKNimBrAJ |
|---|---|
| Name | Isovaleric acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.982462692 u |
| Formula | C11H11Cl3O2 |
| InChI | InChI=1S/C11H11Cl3O2/c1-6(2)3-11(15)16-10-5-8(13)7(12)4-9(10)14/h4-6H,3H2,1-2H3 |
| InChIKey | JAPFIXZLXNGZGL-UHFFFAOYSA-N |
| Molecular Weight | 281.566 g/mol |
| SMILES | CC(CC(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl)C |