| SpectraBase Compound ID | KR3lbgLiZUd |
|---|---|
| InChI | InChI=1S/C18H26O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H,19,20) |
| InChIKey | YXKKMVGGPRVHIL-UHFFFAOYSA-N |
| Mol Weight | 274.4 g/mol |
| Molecular Formula | C18H26O2 |
| Exact Mass | 274.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XhkjMyHIMZ |
|---|---|
| Name | Benzoic acid, 4-(4-pentylcyclohexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.193280075 u |
| Formula | C18H26O2 |
| InChI | InChI=1S/C18H26O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H,19,20) |
| InChIKey | YXKKMVGGPRVHIL-UHFFFAOYSA-N |
| Molecular Weight | 274.404 g/mol |
| SMILES | OC(C=1C=CC(=CC1)C1CCC(CC1)CCCCC)=O |