| SpectraBase Compound ID | DwKDHaANsAX |
|---|---|
| InChI | InChI=1S/C20H16O2/c1-15-6-5-9-18(14-15)20(21)22-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-14H,1H3 |
| InChIKey | VYSBBHOJVYYBGX-UHFFFAOYSA-N |
| Mol Weight | 288.35 g/mol |
| Molecular Formula | C20H16O2 |
| Exact Mass | 288.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyzOvEpImaW |
|---|---|
| Name | Benzoic acid, 3-methyl-, 4-biphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.115029753 u |
| Formula | C20H16O2 |
| InChI | InChI=1S/C20H16O2/c1-15-6-5-9-18(14-15)20(21)22-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-14H,1H3 |
| InChIKey | VYSBBHOJVYYBGX-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1C)C(=O)OC1=CC=C(C2=CC=CC=C2)C=C1 |