| SpectraBase Spectrum ID |
HkIvlY7TStZ |
| Name |
1-(2,4,6-Trimethylphenyl)hexane-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-10-7-11(2)15(12(3)8-10)9-14(17)6-5-13(4)16/h7-8H,5-6,9H2,1-4H3 |
| InChIKey |
OIBBAJPLEKUWDE-UHFFFAOYSA-N |
| Molecular Weight |
232.323 g/mol |
| SMILES |
C(C(CCC(C)=O)=O)C=1C(=CC(=CC1C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972025 |
