SpectraBase Spectrum ID |
FforSWsPPl6 |
Name |
1-Phenyl-3-(4-chlorophenyl)-3A,8B-dihydro-4H-indeno[1,2-C]pyrazole |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
344.108026255 u |
Formula |
C22H17ClN2 |
InChI |
InChI=1S/C22H17ClN2/c23-17-12-10-15(11-13-17)21-20-14-16-6-4-5-9-19(16)22(20)25(24-21)18-7-2-1-3-8-18/h1-13,20,22H,14H2 |
InChIKey |
ZKZHFQZAAWGJTR-UHFFFAOYSA-N |
Molecular Weight |
344.845 g/mol |
SMILES |
C12=CC=CC=C2CC2C1N(C1=CC=CC=C1)N=C2C1=CC=C(C=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90689 |