![6-(4-Bromophenyl)-3-isopropyl-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine](/api/spectrum/OXcHj9QODN/structure.png?h=300&w=458 "6-(4-Bromophenyl)-3-isopropyl-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine")
| SpectraBase Compound ID | IsDHUBhhzgj |
|---|---|
| InChI | InChI=1S/C13H13BrN4S/c1-8(2)12-15-16-13-18(12)17-11(7-19-13)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | LJQRLIPWLMRNAX-UHFFFAOYSA-N |
| Mol Weight | 337.24 g/mol |
| Molecular Formula | C13H13BrN4S |
| Exact Mass | 336.004431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OXcHj9QODN |
|---|---|
| Name | 6-(4-Bromophenyl)-3-isopropyl-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 | 336.004430609 u |
| Formula | C13H13BrN4S |
| InChI | InChI=1S/C13H13BrN4S/c1-8(2)12-15-16-13-18(12)17-11(7-19-13)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | LJQRLIPWLMRNAX-UHFFFAOYSA-N |
| Molecular Weight | 337.239 g/mol |
| SMILES | C1=CC(=CC=C1C=1CSC=2N(C(C(C)C)=NN2)N1)Br |