| SpectraBase Compound ID | 2FMlTOvVTat |
|---|---|
| InChI | InChI=1S/C19H20O3/c1-14(2)12-19(21)22-13-18(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3 |
| InChIKey | PLJCISGAYSAELP-UHFFFAOYSA-N |
| Mol Weight | 296.37 g/mol |
| Molecular Formula | C19H20O3 |
| Exact Mass | 296.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6Jjted4lu23 |
|---|---|
| Name | 3-Methylbutyric acid, 2-biphenyl-4-yl-2-oxoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.141244501 u |
| Formula | C19H20O3 |
| InChI | InChI=1S/C19H20O3/c1-14(2)12-19(21)22-13-18(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3 |
| InChIKey | PLJCISGAYSAELP-UHFFFAOYSA-N |
| Molecular Weight | 296.366 g/mol |
| SMILES | C1=CC(C2=CC=C(C(COC(=O)CC(C)C)=O)C=C2)=CC=C1 |