| SpectraBase Compound ID | FmHZDV8ub1i |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-4-15-11(14)6-9-5-10(13)8-12(2,3)7-9/h5H,4,6-8H2,1-3H3 |
| InChIKey | PQXJAVJYLMCWTN-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zjnbHBIWcd |
|---|---|
| Name | 2-(3-Keto-5,5-dimethyl-cyclohexen-1-yl)acetic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-4-15-11(14)6-9-5-10(13)8-12(2,3)7-9/h5H,4,6-8H2,1-3H3 |
| InChIKey | PQXJAVJYLMCWTN-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C1(=CC(=O)CC(C1)(C)C)CC(=O)OCC |