| SpectraBase Compound ID | 4R4NOItDDvV |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-4-5-6-9(14)12-10(15)7-13(2,3)8-11(12)16/h15H,4-8H2,1-3H3 |
| InChIKey | LBMIPCXXUGVZOO-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 | I050YFJXKie |
|---|---|
| Name | 2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-(1-oxopentyl)- |
| 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/c1-4-5-6-9(14)12-10(15)7-13(2,3)8-11(12)16/h15H,4-8H2,1-3H3 |
| InChIKey | LBMIPCXXUGVZOO-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | OC1=C(C(CC(C1)(C)C)=O)C(CCCC)=O |