| SpectraBase Spectrum ID |
K8ibOKHhEHX |
| Name |
1,4-bis[(3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.174275962 u |
| Formula |
C28H22N4O2 |
| InChI |
InChI=1S/C28H22N4O2/c1-19-25(27(33)31(29-19)23-9-5-3-6-10-23)17-21-13-15-22(16-14-21)18-26-20(2)30-32(28(26)34)24-11-7-4-8-12-24/h3-18H,1-2H3/b25-17+,26-18+ |
| InChIKey |
YMSCOWUUIXKYPC-RPCRKUJJSA-N |
| Molecular Weight |
446.510 g/mol |
| SMILES |
C1(\C(C(=NN1c1ccccc1)C)=C\c1ccc(cc1)\C=C/1C(=NN(C1=O)c1ccccc1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937569 |
![1,4-Bis[(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzene](/api/spectrum/K8ibOKHhEHX/structure.png?h=300&w=458 "1,4-Bis[(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzene")
