| SpectraBase Spectrum ID |
1wNqIazdFFT |
| Name |
(E)-3-(2-Methyl-1-phenyl-1-butenyl)cyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.167065327 u |
| Formula |
C17H22O |
| InChI |
InChI=1S/C17H22O/c1-3-13(2)17(14-8-5-4-6-9-14)15-10-7-11-16(18)12-15/h4-6,8-9,15H,3,7,10-12H2,1-2H3/b17-13- |
| InChIKey |
DZWZBSNOCPWUPK-LGMDPLHJSA-N |
| Molecular Weight |
242.362 g/mol |
| SMILES |
C1(\C(=C/(CC)C)C2=CC=CC=C2)CC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941294 |
