| SpectraBase Compound ID | 7KDb9ODhs9y |
|---|---|
| InChI | InChI=1S/C23H22O2/c1-14-8-5-9-15(2)20(14)18-12-7-13-19(22(18)23(24)25)21-16(3)10-6-11-17(21)4/h5-13H,1-4H3,(H,24,25) |
| InChIKey | IEWASDPRMRTHBF-UHFFFAOYSA-N |
| Mol Weight | 330.43 g/mol |
| Molecular Formula | C23H22O2 |
| Exact Mass | 330.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xV7WTVceHx |
|---|---|
| Name | 2,6-bis(2,6-Dimethylphenyl)-benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.161979946 u |
| Formula | C23H22O2 |
| InChI | InChI=1S/C23H22O2/c1-14-8-5-9-15(2)20(14)18-12-7-13-19(22(18)23(24)25)21-16(3)10-6-11-17(21)4/h5-13H,1-4H3,(H,24,25) |
| InChIKey | IEWASDPRMRTHBF-UHFFFAOYSA-N |
| Molecular Weight | 330.427 g/mol |
| SMILES | C=1(C(C=2C(=CC=CC2C)C)=CC=CC1C1=C(C=CC=C1C)C)C(=O)O |