| SpectraBase Spectrum ID |
EUxM5ACg6Rl |
| Name |
7,7-Dimethyl-6-phenyl-4,5-octadien-2-one |
| 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/c1-13(17)9-8-12-15(16(2,3)4)14-10-6-5-7-11-14/h5-8,10-11H,9H2,1-4H3 |
| InChIKey |
DXTJWGQYFPVHSY-UHFFFAOYSA-N |
| Molecular Weight |
228.335 g/mol |
| SMILES |
C(=O)(CC(=[C@@]=C(C(C)(C)C)C1=CC=CC=C1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961984 |
