| SpectraBase Spectrum ID |
7hGFaQiCP2z |
| Name |
3-(Trifluoromethyl)-4-[(alpha,alpha,alpha-trifluoro-p-toluidino)methylene]-2-pyrazolin-5-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.049330834 u |
| Formula |
C12H7F6N3O |
| InChI |
InChI=1S/C12H7F6N3O/c13-11(14,15)6-1-3-7(4-2-6)19-5-8-9(12(16,17)18)20-21-10(8)22/h1-5,19H,(H,21,22) |
| InChIKey |
HEZWGTIYBGODTP-UHFFFAOYSA-N |
| Molecular Weight |
323.198 g/mol |
| SMILES |
N(C1=CC=C(C=C1)C(F)(F)F)C=C1C(=NNC1=O)C(F)(F)F |
![3-(Trifluoromethyl)-4-[(alpha,alpha,alpha-trifluoro-p-toluidino)methylene]-2-pyrazolin-5-one](/api/spectrum/7hGFaQiCP2z/structure.png?h=300&w=458 "3-(Trifluoromethyl)-4-[(alpha,alpha,alpha-trifluoro-p-toluidino)methylene]-2-pyrazolin-5-one")
