| SpectraBase Compound ID | 5qKP05ad2xw |
|---|---|
| InChI | InChI=1S/C13H12O3/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2 |
| InChIKey | ZRAFFOXPOZNBEI-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C13H12O3 |
| Exact Mass | 216.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67jbe7WjX5A |
|---|---|
| Name | 2-Cyclohexen-3-ol-1-one, 2-benzoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.078644243 u |
| Formula | C13H12O3 |
| InChI | InChI=1S/C13H12O3/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2 |
| InChIKey | ZRAFFOXPOZNBEI-UHFFFAOYSA-N |
| Molecular Weight | 216.236 g/mol |
| SMILES | C1CC(=C(C(C1)=O)C(C1=CC=CC=C1)=O)O |