| SpectraBase Spectrum ID |
B3GpHYvoUhR |
| Name |
(E)-3-(2-Phenyl-1-butenyl)cyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.151415263 u |
| Formula |
C16H20O |
| InChI |
InChI=1S/C16H20O/c1-2-14(15-8-4-3-5-9-15)11-13-7-6-10-16(17)12-13/h3-5,8-9,11,13H,2,6-7,10,12H2,1H3/b14-11+ |
| InChIKey |
UEJMUZGIZNYPGU-SDNWHVSQSA-N |
| Molecular Weight |
228.335 g/mol |
| SMILES |
C1(\C=C\(C=2C=CC=CC2)CC)CC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918793 |
