| SpectraBase Compound ID | CCgaARbMkyI |
|---|---|
| InChI | InChI=1S/C14H14O3/c1-10-7-8-12(9-13(10)15)17-14(16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3 |
| InChIKey | PKKAPLLVJSWRBG-UHFFFAOYSA-N |
| Mol Weight | 230.26 g/mol |
| Molecular Formula | C14H14O3 |
| Exact Mass | 230.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WxFInhe5J1 |
|---|---|
| Name | 2-Cyclohexen-1-one, 3-(benzoyloxy)-6-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.094294308 u |
| Formula | C14H14O3 |
| InChI | InChI=1S/C14H14O3/c1-10-7-8-12(9-13(10)15)17-14(16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3 |
| InChIKey | PKKAPLLVJSWRBG-UHFFFAOYSA-N |
| Molecular Weight | 230.263 g/mol |
| SMILES | C=1C(=O)C(C)CCC1OC(=O)C1=CC=CC=C1 |