![3-Ethyl-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine](/api/spectrum/KHXjr5uOEZt/structure.png?h=300&w=458 "3-Ethyl-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine")
| SpectraBase Compound ID | EYaCTVYlxDN |
|---|---|
| InChI | InChI=1S/C13H14N4S/c1-3-12-14-15-13-17(12)16-11(8-18-13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | FEAMPNWDIFBKGB-UHFFFAOYSA-N |
| Mol Weight | 258.34 g/mol |
| Molecular Formula | C13H14N4S |
| Exact Mass | 258.093918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHXjr5uOEZt |
|---|---|
| Name | 3-Ethyl-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.093917641 u |
| Formula | C13H14N4S |
| InChI | InChI=1S/C13H14N4S/c1-3-12-14-15-13-17(12)16-11(8-18-13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | FEAMPNWDIFBKGB-UHFFFAOYSA-N |
| Molecular Weight | 258.343 g/mol |
| SMILES | CCC=1N2N=C(C3=CC=C(C=C3)C)CSC2=NN1 |