| SpectraBase Compound ID | 3EbxBRKmoGi |
|---|---|
| InChI | InChI=1S/C22H20O2/c1-15-7-11-17(12-8-15)19-5-4-6-20(21(19)22(23)24-3)18-13-9-16(2)10-14-18/h4-14H,1-3H3 |
| InChIKey | LISCIWDISWGUFJ-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C22H20O2 |
| Exact Mass | 316.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bspl4aUepeH |
|---|---|
| Name | 2,6-bis(4-Methylphenyl)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.146329882 u |
| Formula | C22H20O2 |
| InChI | InChI=1S/C22H20O2/c1-15-7-11-17(12-8-15)19-5-4-6-20(21(19)22(23)24-3)18-13-9-16(2)10-14-18/h4-14H,1-3H3 |
| InChIKey | LISCIWDISWGUFJ-UHFFFAOYSA-N |
| Molecular Weight | 316.400 g/mol |
| SMILES | C=1(C(C=2C=CC(=CC2)C)=CC=CC1C=1C=CC(=CC1)C)C(=O)OC |