| SpectraBase Compound ID | IAjKzysY7A4 |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-9(2)7-10(13)5-6-11-8-14-12(3,4)15-11/h9,11H,5-8H2,1-4H3 |
| InChIKey | HDTFGZMPAYQBKE-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hui35OA3f |
|---|---|
| Name | 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-5-methyl-3-hexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-9(2)7-10(13)5-6-11-8-14-12(3,4)15-11/h9,11H,5-8H2,1-4H3 |
| InChIKey | HDTFGZMPAYQBKE-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C1(OCC(O1)CCC(CC(C)C)=O)(C)C |