| SpectraBase Spectrum ID |
KCNZV1T9qEH |
| Name |
5,5-Dimethyl-1-phenyl-2(E)-octen-1,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.146329882 u |
| Formula |
C16H20O2 |
| InChI |
InChI=1S/C16H20O2/c1-13(17)12-16(2,3)11-7-10-15(18)14-8-5-4-6-9-14/h4-10H,11-12H2,1-3H3/b10-7+ |
| InChIKey |
SWABZKUZVSOHMC-JXMROGBWSA-N |
| Molecular Weight |
244.334 g/mol |
| SMILES |
C(\C=C\CC(CC(=O)C)(C)C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988945 |
