| SpectraBase Compound ID | HKnrLqdUhlk |
|---|---|
| InChI | InChI=1S/C21H16O3/c1-24-21(23)19-10-6-5-9-18(19)20(22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3 |
| InChIKey | NZXBNZWOHZUTCT-UHFFFAOYSA-N |
| Mol Weight | 316.36 g/mol |
| Molecular Formula | C21H16O3 |
| Exact Mass | 316.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DK7DZs8MOzH |
|---|---|
| Name | 2-(4'-Phenylbenzoyl)benzoic acid, o-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.109944372 u |
| Formula | C21H16O3 |
| InChI | InChI=1S/C21H16O3/c1-24-21(23)19-10-6-5-9-18(19)20(22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3 |
| InChIKey | NZXBNZWOHZUTCT-UHFFFAOYSA-N |
| Molecular Weight | 316.356 g/mol |
| SMILES | COC(C1=CC=CC=C1C(=O)C1=CC=C(C2=CC=CC=C2)C=C1)=O |