| SpectraBase Spectrum ID |
2G5qIC8puPt |
| Name |
2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.051106910 u |
| Formula |
C14H10F3NO5 |
| InChI |
InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2 |
| InChIKey |
OUBCNLGXQFSTLU-UHFFFAOYSA-N |
| Molecular Weight |
329.231 g/mol |
| SMILES |
C1(C(C(CCC1)=O)C(C1=C(C=C(C=C1)C(F)(F)F)N(=O)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915789 |
![2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione](/api/spectrum/2G5qIC8puPt/structure.png?h=300&w=458 "2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione")
