| SpectraBase Compound ID | GbiBMiI9RHB |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-4-5-6-12(15)16-11-7-10(14)8-13(2,3)9-11/h7H,4-6,8-9H2,1-3H3 |
| InChIKey | CYXVEUNAXZZUPL-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1cPREBsLmYC |
|---|---|
| Name | Pentanoic acid, 5,5-dimethyl-3-oxo-1-cyclohexen-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-4-5-6-12(15)16-11-7-10(14)8-13(2,3)9-11/h7H,4-6,8-9H2,1-3H3 |
| InChIKey | CYXVEUNAXZZUPL-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C1(C=C(CC(C1)(C)C)OC(CCCC)=O)=O |