| SpectraBase Compound ID | JXdJfb5KhZf |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-3-9(4-2)12(14)15-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3 |
| InChIKey | KELFKEIDEDFIPX-UHFFFAOYSA-N |
| Mol Weight | 226.7 g/mol |
| Molecular Formula | C12H15ClO2 |
| Exact Mass | 226.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VaEQkkOzP9 |
|---|---|
| Name | 2-Ethylbutyric acid, 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.076057421 u |
| Formula | C12H15ClO2 |
| InChI | InChI=1S/C12H15ClO2/c1-3-9(4-2)12(14)15-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3 |
| InChIKey | KELFKEIDEDFIPX-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(=O)C(CC)CC)Cl |