| SpectraBase Compound ID | 3NHXXBPffHo |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-9-4-2-5-10(8-9)14-11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey | SYJCUBZSARZMMM-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1pVUhglvTUm |
|---|---|
| Name | 4-Chlorobutyric acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.060407357 u |
| Formula | C11H13ClO2 |
| InChI | InChI=1S/C11H13ClO2/c1-9-4-2-5-10(8-9)14-11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey | SYJCUBZSARZMMM-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(CC(=O)OC=1C=CC=C(C)C1)CCl |