| SpectraBase Compound ID | 91vbprkvIDl |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-2-6(10)9-7(11)4-3-5-8(9)12/h11H,2-5H2,1H3 |
| InChIKey | ROVGIVWUAMEQQN-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bo5bToQNCkh |
|---|---|
| Name | 2-Cyclohexen-3-ol-1-one, 2-propioyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-2-6(10)9-7(11)4-3-5-8(9)12/h11H,2-5H2,1H3 |
| InChIKey | ROVGIVWUAMEQQN-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C1CC(=C(C(C1)=O)C(CC)=O)O |