| SpectraBase Spectrum ID |
Cw4AZ55Okce |
| Name |
2-Cyclohexen-1-one, 2-(2-methylpropyl)-3-phenyl- |
| 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/c1-12(2)11-15-14(9-6-10-16(15)17)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3 |
| InChIKey |
LBKSAOMTBWQXKH-UHFFFAOYSA-N |
| Molecular Weight |
228.335 g/mol |
| SMILES |
C1(=C(C=2C=CC=CC2)CCCC1=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935126 |
