| SpectraBase Compound ID | 4GHfCU6Pkfv |
|---|---|
| InChI | InChI=1S/C21H18O2/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21(22)23)17-9-4-7-15(2)13-17/h3-13H,1-2H3,(H,22,23) |
| InChIKey | CXRBTVICLMOOCO-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C21H18O2 |
| Exact Mass | 302.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4R5dgzvXBx |
|---|---|
| Name | 2,6-bis(3-Methylphenyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.130679818 u |
| Formula | C21H18O2 |
| InChI | InChI=1S/C21H18O2/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21(22)23)17-9-4-7-15(2)13-17/h3-13H,1-2H3,(H,22,23) |
| InChIKey | CXRBTVICLMOOCO-UHFFFAOYSA-N |
| SMILES | C=1(C(C=2C=C(C)C=CC2)=CC=CC1C=1C=C(C)C=CC1)C(=O)O |