| SpectraBase Compound ID | KXkJAaiqcn2 |
|---|---|
| InChI | InChI=1S/C16H14O4/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19) |
| InChIKey | MVSAOJIYSPMXBM-UHFFFAOYSA-N |
| Mol Weight | 270.28 g/mol |
| Molecular Formula | C16H14O4 |
| Exact Mass | 270.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5WNtksNDPh |
|---|---|
| Name | 2-oxo-3-Phenylpropionic acid, 4'-benzyloxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.089208927 u |
| Formula | C16H14O4 |
| InChI | InChI=1S/C16H14O4/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19) |
| InChIKey | MVSAOJIYSPMXBM-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)COC=1C=CC(=CC1)CC(=O)C(=O)O |