| SpectraBase Compound ID | 8WnnDx0DBKs |
|---|---|
| InChI | InChI=1S/C11H11Cl3O2/c1-2-3-4-10(15)16-11-8(13)5-7(12)6-9(11)14/h5-6H,2-4H2,1H3 |
| InChIKey | NPMNSOHNAIGUCX-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 | COKf6SyA3Pd |
|---|---|
| Name | Valeric acid, 2,4,6-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/c1-2-3-4-10(15)16-11-8(13)5-7(12)6-9(11)14/h5-6H,2-4H2,1H3 |
| InChIKey | NPMNSOHNAIGUCX-UHFFFAOYSA-N |
| Molecular Weight | 281.566 g/mol |
| SMILES | C(=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)CCCC |