| SpectraBase Spectrum ID |
3b6u8UWNHt3 |
| Name |
1-Methyl-3-(2',4',5'-triphenyl-2',4'-dihydro-1',2',4'-triazol-3'-ylidene)pyrrolidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.158625898 u |
| Formula |
C25H20N4O2 |
| InChI |
InChI=1S/C25H20N4O2/c1-27-22(30)17-21(25(27)31)24-28(19-13-7-3-8-14-19)23(18-11-5-2-6-12-18)26-29(24)20-15-9-4-10-16-20/h2-16H,17H2,1H3/b24-21+ |
| InChIKey |
TUWDFTCTUSMZPE-DARPEHSRSA-N |
| Molecular Weight |
408.461 g/mol |
| SMILES |
C1(\C(=C/2N(C(C3=CC=CC=C3)=NN2C2=CC=CC=C2)C=2C=CC=CC2)CC(N1C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890707 |
