| SpectraBase Spectrum ID |
AFpLU1F5CWL |
| Name |
1-Propanone, 1-[6-(2-methylcyclopentyl)-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/c1-12-8-7-11-13(12)14-9-5-6-10-15(14)16(18)17(2,3)4/h5,9-10,12-14H,6-8,11H2,1-4H3 |
| InChIKey |
QZALAKUEIPLPBZ-UHFFFAOYSA-N |
| Molecular Weight |
246.394 g/mol |
| SMILES |
C=1(C(C2C(CCC2)C)C=CCC1)C(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829945 |
![1-Propanone, 1-[6-(2-methylcyclopentyl)-1,4-cyclohexadien-1-yl]-2,2-dimethyl-](/api/spectrum/AFpLU1F5CWL/structure.png?h=300&w=458 "1-Propanone, 1-[6-(2-methylcyclopentyl)-1,4-cyclohexadien-1-yl]-2,2-dimethyl-")
