| SpectraBase Spectrum ID |
Kh52pR1URRO |
| Name |
4-(4-Chlorobenzyl)oxy-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-methoxy-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.145533961 u |
| Formula |
C26H24ClN3O4 |
| InChI |
InChI=1S/C26H24ClN3O4/c1-17-24(26(32)30(29(17)2)21-7-5-4-6-8-21)28-25(31)19-11-14-22(23(15-19)33-3)34-16-18-9-12-20(27)13-10-18/h4-15H,16H2,1-3H3,(H,28,31) |
| InChIKey |
BLBQLDDXPCOGHJ-UHFFFAOYSA-N |
| Molecular Weight |
477.948 g/mol |
| SMILES |
C=1(C(N(C=2C=CC=CC2)N(C1C)C)=O)NC(C=1C=C(OC)C(=CC1)OCC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884532 |
