| SpectraBase Compound ID | GGQE9PJGrxD |
|---|---|
| InChI | InChI=1S/C16H14O3/c1-12(17)14-9-7-13(8-10-14)11-19-16(18)15-5-3-2-4-6-15/h2-10H,11H2,1H3 |
| InChIKey | XNVVKORSXYXOFJ-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 | HyQLMXeKYAg |
|---|---|
| Name | Benzoic acid, 4-acetylbenzyl 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(17)14-9-7-13(8-10-14)11-19-16(18)15-5-3-2-4-6-15/h2-10H,11H2,1H3 |
| InChIKey | XNVVKORSXYXOFJ-UHFFFAOYSA-N |
| Molecular Weight | 254.285 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)OCC1=CC=C(C(C)=O)C=C1 |