SpectraBase Spectrum ID |
KHD0foNcmwj |
Name |
3-(4-Chlorophenyl)-1-methyl-5-phenyl-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 |
270.092376191 u |
Formula |
C16H15ClN2 |
InChI |
InChI=1S/C16H15ClN2/c1-19-16(13-5-3-2-4-6-13)11-15(18-19)12-7-9-14(17)10-8-12/h2-10,16H,11H2,1H3 |
InChIKey |
KZDWLZNBRCQSNB-UHFFFAOYSA-N |
SMILES |
C1(N(N=C(C1)C=1C=CC(=CC1)Cl)C)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95688 |