| SpectraBase Compound ID | 1tBSrJ8Nz8B |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-3-9(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | SETZOLSUXMMKPY-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 | 92yqSl1Xl5l |
|---|---|
| Name | 4-Chlorobenzoic acid, 2-methylbutyl 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(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | SETZOLSUXMMKPY-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OCC(CC)C)Cl |