| SpectraBase Compound ID | 6JxFvvrn5c6 |
|---|---|
| InChI | InChI=1S/C20H16O2/c1-15-11-13-17(14-12-15)20(21)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3 |
| InChIKey | VMKPHVVSWPCPLE-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 | 5IqP780kNWG |
|---|---|
| Name | 4-Methylbenzoic acid, 2-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/c1-15-11-13-17(14-12-15)20(21)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3 |
| InChIKey | VMKPHVVSWPCPLE-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)C)(OC1=C(C2=CC=CC=C2)C=CC=C1)=O |