| SpectraBase Spectrum ID |
L2c3jlHzCCs |
| Name |
1-(para-(Trifluoromethyl)-phenyl)-1,2-propanedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.039813952 u |
| Formula |
C10H7F3O2 |
| InChI |
InChI=1S/C10H7F3O2/c1-6(14)9(15)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3 |
| InChIKey |
FAKCECCBNBDCNE-UHFFFAOYSA-N |
| Molecular Weight |
216.159 g/mol |
| SMILES |
C(=O)(C)C(=O)C1=CC=C(C=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871388 |
