| SpectraBase Spectrum ID |
2XgHd1IYZvf |
| Name |
7-Benzoyl-6-bromomethyl-2,6-dimethyl-2,3,5,6-tetrahydro-7H-imidazo[2,1-C]1,2,4-triazole-3-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.014995292 u |
| Formula |
C14H15BrN4OS |
| InChI |
InChI=1S/C14H15BrN4OS/c1-14(8-15)9-18-12(16-17(2)13(18)21)19(14)11(20)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 |
| InChIKey |
IOPGCBQKHWTXCA-UHFFFAOYSA-N |
| Molecular Weight |
367.265 g/mol |
| SMILES |
C1=2N(C(=S)N(N2)C)CC(N1C(=O)C1=CC=CC=C1)(CBr)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946509 |
![7-Benzoyl-6-bromomethyl-2,6-dimethyl-2,3,5,6-tetrahydro-7H-imidazo[2,1-c]1,2,4-triazole-3-thione](/api/spectrum/2XgHd1IYZvf/structure.png?h=300&w=458 "7-Benzoyl-6-bromomethyl-2,6-dimethyl-2,3,5,6-tetrahydro-7H-imidazo[2,1-c]1,2,4-triazole-3-thione")
