| SpectraBase Spectrum ID |
AWC0I2wjPzl |
| Name |
5-(4-Tert-butyl-phenyl)-4-ethyl-2,4-dihydro-[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 |
261.129968798 u |
| Formula |
C14H19N3S |
| InChI |
InChI=1S/C14H19N3S/c1-5-17-12(15-16-13(17)18)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3,(H,16,18) |
| InChIKey |
KXFYXFVWCIUKDR-UHFFFAOYSA-N |
| Molecular Weight |
261.387 g/mol |
| SMILES |
C=1(C2=CC=C(C(C)(C)C)C=C2)N(C(=S)NN1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818448 |
![5-(4-Tert-butyl-phenyl)-4-ethyl-2,4-dihydro-[1,2,4]triazole-3-thione](/api/spectrum/AWC0I2wjPzl/structure.png?h=300&w=458 "5-(4-Tert-butyl-phenyl)-4-ethyl-2,4-dihydro-[1,2,4]triazole-3-thione")
