| SpectraBase Compound ID | CjFdHoLbPOa |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-2-10-5-3-6-11(9-10)15-12(14)7-4-8-13/h3,5-6,9H,2,4,7-8H2,1H3 |
| InChIKey | VYWJAMFRRKYCKZ-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 | DWBc14LObY |
|---|---|
| Name | 4-Chlorobutyric acid, 3-ethylphenyl 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/c1-2-10-5-3-6-11(9-10)15-12(14)7-4-8-13/h3,5-6,9H,2,4,7-8H2,1H3 |
| InChIKey | VYWJAMFRRKYCKZ-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | CCC1=CC=CC(OC(CCCCl)=O)=C1 |