| SpectraBase Spectrum ID |
LTwoHY4bVje |
| Name |
(4Z)-4-(2-Chlorobenzylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2-pyrazolin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.059025202 u |
| Formula |
C18H12ClF3N2O |
| InChI |
InChI=1S/C18H12ClF3N2O/c1-11-15(9-12-5-2-3-8-16(12)19)17(25)24(23-11)14-7-4-6-13(10-14)18(20,21)22/h2-10H,1H3/b15-9- |
| InChIKey |
RDMRYBAZPQKIRQ-DHDCSXOGSA-N |
| Molecular Weight |
364.755 g/mol |
| SMILES |
C1(\C(C(=NN1C=1C=C(C(F)(F)F)C=CC1)C)=C/C1=C(Cl)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828667 |
![(4Z)-4-(2-chlorobenzylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2-pyrazolin-3-one](/api/spectrum/LTwoHY4bVje/structure.png?h=300&w=458 "(4Z)-4-(2-chlorobenzylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2-pyrazolin-3-one")
