| SpectraBase Spectrum ID |
J7BW41seG7r |
| Name |
3-(2',4'-Difluorophenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.128154849 u |
| Formula |
C21H16F2N2 |
| InChI |
InChI=1S/C21H16F2N2/c22-16-11-12-18(19(23)13-16)20-14-21(15-7-3-1-4-8-15)25(24-20)17-9-5-2-6-10-17/h1-13,21H,14H2 |
| InChIKey |
VGUNQNJGPBUBPW-UHFFFAOYSA-N |
| Molecular Weight |
334.370 g/mol |
| SMILES |
C1(N(N=C(C1)C=1C(=CC(=CC1)F)F)C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86358 |
