| SpectraBase Spectrum ID |
1tErVSXI98f |
| Name |
1-Propanone, 1-[6-(5-hexenyl)-1,4-cyclohexadien-1-yl]-2,2-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.198365456 u |
| Formula |
C17H26O |
| InChI |
InChI=1S/C17H26O/c1-5-6-7-8-11-14-12-9-10-13-15(14)16(18)17(2,3)4/h5,9,12-14H,1,6-8,10-11H2,2-4H3 |
| InChIKey |
SJRFDDVCLONJET-UHFFFAOYSA-N |
| Molecular Weight |
246.394 g/mol |
| SMILES |
C=1(C(C(C)(C)C)=O)C(C=CCC1)CCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84122 |
![1-Propanone, 1-[6-(5-hexenyl)-1,4-cyclohexadien-1-yl]-2,2-dimethyl-](/api/spectrum/1tErVSXI98f/structure.png?h=300&w=458 "1-Propanone, 1-[6-(5-hexenyl)-1,4-cyclohexadien-1-yl]-2,2-dimethyl-")
