| SpectraBase Spectrum ID |
F51NgnEZyka |
| Name |
(E)-3-Ethyl-6-methyl-4-ethylidene-2-cyclohexen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.120115134 u |
| Formula |
C11H16O |
| InChI |
InChI=1S/C11H16O/c1-4-9-6-8(3)11(12)7-10(9)5-2/h4,7-8H,5-6H2,1-3H3/b9-4+ |
| InChIKey |
JWHIZQQDHDGQNO-RUDMXATFSA-N |
| Molecular Weight |
164.248 g/mol |
| SMILES |
C1=C(\C(=C\C)CC(C1=O)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942061 |
