| SpectraBase Compound ID | ENtk4yFbJuA |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H,19,20) |
| InChIKey | VRGQQLFRUKMDSW-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fxRPu4sy2T |
|---|---|
| Name | 4'-N-Hexylbiphenyl-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H,19,20) |
| InChIKey | VRGQQLFRUKMDSW-UHFFFAOYSA-N |
| Molecular Weight | 268.356 g/mol |
| SMILES | OC(C=1C=CC(=CC1)C1=CC=C(C=C1)CCCCC)=O |