| SpectraBase Compound ID | I4ypv7aav4e |
|---|---|
| InChI | InChI=1S/C22H20O2/c1-24-22(23)21(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-21H,1H3 |
| InChIKey | MEQIINSNZUAJET-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 | 8nBIFfS5kmj |
|---|---|
| Name | 2,3,3-Triphenyl-propionic 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/c1-24-22(23)21(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-21H,1H3 |
| InChIKey | MEQIINSNZUAJET-UHFFFAOYSA-N |
| Molecular Weight | 316.400 g/mol |
| SMILES | C(OC)(=O)C(C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |