| SpectraBase Spectrum ID |
7oIY8ZBzRBC |
| Name |
5,6-Dimethyl-4-phenyl-2-(N-phenylcarbamoyl)-4,5-dihydro-imidazo[2,1-E][1,2,4]triazol-8-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.159354172 u |
| Formula |
C21H21N5O4 |
| InChI |
InChI=1S/C21H21N5O4/c1-21-24(2)14-17(18(27)29-3)26(21)23-19(25(21)16-12-8-5-9-13-16)30-20(28)22-15-10-6-4-7-11-15/h4-14H,1-3H3,(H,22,28) |
| InChIKey |
VTHSUGQFIYYMCL-UHFFFAOYSA-N |
| Molecular Weight |
407.430 g/mol |
| SMILES |
C12(N(C(C(=O)OC)=CN2C)N=C(N1C1=CC=CC=C1)OC(NC1=CC=CC=C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873334 |
![5,6-Dimethyl-4-phenyl-2-(N-phenylcarbamoyl)-4,5-dihydro-imidazo[2,1-e][1,2,4]triazol-8-carboxylate](/api/spectrum/7oIY8ZBzRBC/structure.png?h=300&w=458 "5,6-Dimethyl-4-phenyl-2-(N-phenylcarbamoyl)-4,5-dihydro-imidazo[2,1-e][1,2,4]triazol-8-carboxylate")
