| SpectraBase Spectrum ID |
FoPMJm2svzg |
| Name |
1-(3-Chlorophenyl)-4,5-dihydro-5-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.139720306 u |
| Formula |
C24H23ClN2O3 |
| InChI |
InChI=1S/C24H23ClN2O3/c1-28-20-9-7-16(8-10-20)23-15-24(17-11-21(29-2)14-22(12-17)30-3)27(26-23)19-6-4-5-18(25)13-19/h4-14,24H,15H2,1-3H3 |
| InChIKey |
BRWWOKIINNYBCD-UHFFFAOYSA-N |
| Molecular Weight |
422.912 g/mol |
| SMILES |
C1(=NN(C(C1)C=1C=C(OC)C=C(C1)OC)C1=CC(Cl)=CC=C1)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805337 |
