| SpectraBase Compound ID | Dg3puchAhv4 |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(9-7-12)15(17)18/h6-11H,2-5H2,1H3,(H,17,18) |
| InChIKey | ZDEXIXKHUMNHPQ-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjCh2fi1IbZ |
|---|---|
| Name | 4-(4-Methylcyclohexanecarbonyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.125594437 u |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(9-7-12)15(17)18/h6-11H,2-5H2,1H3,(H,17,18) |
| InChIKey | ZDEXIXKHUMNHPQ-UHFFFAOYSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | C(C1CCC(C)CC1)(C1=CC=C(C=C1)C(O)=O)=O |