| SpectraBase Compound ID | 9genDfMileg |
|---|---|
| InChI | InChI=1S/C21H18O2/c22-21(16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14H,15-16H2 |
| InChIKey | WMXCDXKQCFXOCF-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 | 6DtL1ROsPCB |
|---|---|
| Name | 3-Phenylpropionic acid, 2-biphenyl ester |
| 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/c22-21(16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14H,15-16H2 |
| InChIKey | WMXCDXKQCFXOCF-UHFFFAOYSA-N |
| SMILES | C(CC1=CC=CC=C1)C(=O)OC1=C(C2=CC=CC=C2)C=CC=C1 |