| SpectraBase Spectrum ID |
DPmLWq6Gu71 |
| Name |
2,3,5-Trimethyl-6-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.055464017 u |
| Formula |
C10H9F3O2 |
| InChI |
InChI=1S/C10H9F3O2/c1-4-5(2)9(15)7(10(11,12)13)6(3)8(4)14/h1-3H3 |
| InChIKey |
NECCVGUBQQLQMV-UHFFFAOYSA-N |
| Molecular Weight |
218.175 g/mol |
| SMILES |
C1(=O)C(=C(C(C(=C1C(F)(F)F)C)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83519 |
