| SpectraBase Compound ID | INJFnDOIA49 |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c13-11-7-4-6-10(9-11)5-2-1-3-8-12(14)15/h4,6-7,9H,1-3,5,8H2,(H,14,15) |
| InChIKey | YKFRNOZLRAKHJH-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 | HrFat8MkyO3 |
|---|---|
| Name | Hexanoic acid, 6-(m-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/c13-11-7-4-6-10(9-11)5-2-1-3-8-12(14)15/h4,6-7,9H,1-3,5,8H2,(H,14,15) |
| InChIKey | YKFRNOZLRAKHJH-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | OC(CCCCCC1=CC(=CC=C1)Cl)=O |