| SpectraBase Spectrum ID |
GKNbIhAJjmx |
| Name |
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-5-methyl-3-hexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944109 |
