| SpectraBase Spectrum ID |
BpmkSw3eGnI |
| Name |
7-(4-Iodophenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-C][1,2,4]triazine-4,6,8(7H)-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.928356272 u |
| Formula |
C14H7IN4O3S |
| InChI |
InChI=1S/C14H7IN4O3S/c1-6-11(20)19-9-10(23-14(19)17-16-6)13(22)18(12(9)21)8-4-2-7(15)3-5-8/h2-5H,1H3 |
| InChIKey |
WGKAGTPCJPMOBB-UHFFFAOYSA-N |
| Molecular Weight |
438.199 g/mol |
| SMILES |
CC1=NN=C2N(C3=C(C(=O)N(C3=O)C3=CC=C(C=C3)I)S2)C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924319 |
![7-(4-Iodophenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione](/api/spectrum/BpmkSw3eGnI/structure.png?h=300&w=458 "7-(4-Iodophenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione")
