| SpectraBase Compound ID | 86zFgK1QDzr |
|---|---|
| InChI | InChI=1S/C16H14O3/c1-12-7-9-14(10-8-12)16(18)19-11-15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | CKJMBJBYXLDVMX-UHFFFAOYSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C16H14O3 |
| Exact Mass | 254.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | In7HCU3UIaN |
|---|---|
| Name | Benzoic acid, 4-methyl-, 2-oxo-2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.094294308 u |
| Formula | C16H14O3 |
| InChI | InChI=1S/C16H14O3/c1-12-7-9-14(10-8-12)16(18)19-11-15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | CKJMBJBYXLDVMX-UHFFFAOYSA-N |
| Molecular Weight | 254.285 g/mol |
| SMILES | C(OCC(=O)C1=CC=CC=C1)(C1=CC=C(C=C1)C)=O |