| SpectraBase Spectrum ID |
HoOv6O8mXtA |
| Name |
(4E)-2-(4-Fluorophenyl)-4-[(p-anisylamino)methylene]-5-propyl-2-pyrazolin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.169605121 u |
| Formula |
C21H22FN3O2 |
| InChI |
InChI=1S/C21H22FN3O2/c1-3-4-20-19(14-23-13-15-5-11-18(27-2)12-6-15)21(26)25(24-20)17-9-7-16(22)8-10-17/h5-12,14,23H,3-4,13H2,1-2H3/b19-14+ |
| InChIKey |
RMCGGERJJGKPBA-XMHGGMMESA-N |
| Molecular Weight |
367.424 g/mol |
| SMILES |
CCCC1=NN(C(\C1=C/NCC=1C=CC(=CC1)OC)=O)C=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92878 |
![(4E)-2-(4-fluorophenyl)-4-[(p-anisylamino)methylene]-5-propyl-2-pyrazolin-3-one](/api/spectrum/HoOv6O8mXtA/structure.png?h=300&w=458 "(4E)-2-(4-fluorophenyl)-4-[(p-anisylamino)methylene]-5-propyl-2-pyrazolin-3-one")
