| SpectraBase Compound ID | 1TN1FW5U1Nr |
|---|---|
| InChI | InChI=1S/C23H22O2/c1-14-8-15(2)11-18(10-14)20-6-5-7-21(22(20)23(24)25)19-12-16(3)9-17(4)13-19/h5-13H,1-4H3,(H,24,25) |
| InChIKey | OVDDGWFBBFAGKN-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 | 4RGJo1QYpde |
|---|---|
| Name | 2,6-bis(3,5-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/c1-14-8-15(2)11-18(10-14)20-6-5-7-21(22(20)23(24)25)19-12-16(3)9-17(4)13-19/h5-13H,1-4H3,(H,24,25) |
| InChIKey | OVDDGWFBBFAGKN-UHFFFAOYSA-N |
| Molecular Weight | 330.427 g/mol |
| SMILES | C=1(C(C=2C=C(C)C=C(C2)C)=CC=CC1C1=CC(C)=CC(=C1)C)C(=O)O |