| SpectraBase Compound ID | Av3DXvSfICs |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9H,1-5H2,(H,14,15) |
| InChIKey | YKKKNWFYJMOSLZ-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 | CtQtRt46bux |
|---|---|
| Name | Benzenehexanoic acid, 4-chloro-; hexanoic-acid, p-chlorophenyl- |
| 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/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9H,1-5H2,(H,14,15) |
| InChIKey | YKKKNWFYJMOSLZ-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | OC(CCCCCC=1C=CC(=CC1)Cl)=O |