| SpectraBase Compound ID | A69cVBTK8m6 |
|---|---|
| InChI | InChI=1S/C15H21ClO3/c1-3-4-9-19-15(17)6-5-10-18-14-8-7-13(16)11-12(14)2/h7-8,11H,3-6,9-10H2,1-2H3 |
| InChIKey | KOXLMFVJUQQBIY-UHFFFAOYSA-N |
| Mol Weight | 284.78 g/mol |
| Molecular Formula | C15H21ClO3 |
| Exact Mass | 284.117922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 701YgXDgN4e |
|---|---|
| Name | 4-(4-Chloro-2-methylphenoxy)butyric acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.117922233 u |
| Formula | C15H21ClO3 |
| InChI | InChI=1S/C15H21ClO3/c1-3-4-9-19-15(17)6-5-10-18-14-8-7-13(16)11-12(14)2/h7-8,11H,3-6,9-10H2,1-2H3 |
| InChIKey | KOXLMFVJUQQBIY-UHFFFAOYSA-N |
| SMILES | C(CC(OCCCC)=O)COC=1C(C)=CC(=CC1)Cl |