| SpectraBase Compound ID | 10tZwq5jeL9 |
|---|---|
| InChI | InChI=1S/C12H15ClO3/c1-2-3-8-15-12(14)9-16-11-6-4-10(13)5-7-11/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | GZKDUBJVOZXJOU-UHFFFAOYSA-N |
| Mol Weight | 242.7 g/mol |
| Molecular Formula | C12H15ClO3 |
| Exact Mass | 242.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jx3h5KgoQXn |
|---|---|
| Name | Acetic acid, (4-chlorophenoxy)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.070972040 u |
| Formula | C12H15ClO3 |
| InChI | InChI=1S/C12H15ClO3/c1-2-3-8-15-12(14)9-16-11-6-4-10(13)5-7-11/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | GZKDUBJVOZXJOU-UHFFFAOYSA-N |
| Molecular Weight | 242.702 g/mol |
| SMILES | C(C(OCCCC)=O)OC1=CC=C(C=C1)Cl |