| SpectraBase Compound ID | FQszIvPY45V |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-9-6-10(2)8-11(7-9)15-12(14)4-3-5-13/h6-8H,3-5H2,1-2H3 |
| InChIKey | BWWVMEDTGZFRCA-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 | FU6awafbgLB |
|---|---|
| Name | 4-Chlorobutyric acid, 3,5-dimethylphenyl 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/c1-9-6-10(2)8-11(7-9)15-12(14)4-3-5-13/h6-8H,3-5H2,1-2H3 |
| InChIKey | BWWVMEDTGZFRCA-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C(C(=O)OC=1C=C(C)C=C(C)C1)CCCl |