| SpectraBase Spectrum ID |
2jJyEnzLW2x |
| Name |
4(5H)-Oxazolone, 2-[3-(trifluoromethyl)phenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.035062924 u |
| Formula |
C10H6F3NO2 |
| InChI |
InChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-2-6(4-7)9-14-8(15)5-16-9/h1-4H,5H2 |
| InChIKey |
KCLQUPQVHOGYNY-UHFFFAOYSA-N |
| Molecular Weight |
229.158 g/mol |
| SMILES |
C1(=NC(CO1)=O)C=1C=C(C(F)(F)F)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832847 |
![4(5H)-Oxazolone, 2-[3-(trifluoromethyl)phenyl]-](/api/spectrum/2jJyEnzLW2x/structure.png?h=300&w=458 "4(5H)-Oxazolone, 2-[3-(trifluoromethyl)phenyl]-")
