| SpectraBase Spectrum ID |
ARhgO7BZ1BU |
| Name |
2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h8,10,12H,4-7H2,1-3H3 |
| InChIKey |
UICMPCKQBBYKCA-UHFFFAOYSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C1(C=C(C)CCC1C(CCOC(=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822764 |
![2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl-](/api/spectrum/ARhgO7BZ1BU/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl-")
