| SpectraBase Spectrum ID |
II89bP66wTH |
| Name |
1,3-Cyclohexanedione, 2,5,5-trimethyl-; 2,5,5-trimethyl-cyclohexane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
154.099379689 u |
| Formula |
C9H14O2 |
| InChI |
InChI=1S/C9H14O2/c1-6-7(10)4-9(2,3)5-8(6)11/h6H,4-5H2,1-3H3 |
| InChIKey |
WJTGLPHMQKJRIX-UHFFFAOYSA-N |
| Molecular Weight |
154.209 g/mol |
| SMILES |
C1(C(C(CC(C1)(C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.990933 |
