![2-Allylsulfanyl-5-(4-bromophenyl)-[1,3,4]oxadiazole](/api/spectrum/3TMkAnSSr4f/structure.png?h=300&w=458 "2-Allylsulfanyl-5-(4-bromophenyl)-[1,3,4]oxadiazole")
| SpectraBase Compound ID | 2UE6fUgo1qn |
|---|---|
| InChI | InChI=1S/C11H9BrN2OS/c1-2-7-16-11-14-13-10(15-11)8-3-5-9(12)6-4-8/h2-6H,1,7H2 |
| InChIKey | TVYZCPFADFXKOZ-UHFFFAOYSA-N |
| Mol Weight | 297.17 g/mol |
| Molecular Formula | C11H9BrN2OS |
| Exact Mass | 295.961897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TMkAnSSr4f |
|---|---|
| Name | 2-Allylsulfanyl-5-(4-bromophenyl)-[1,3,4]oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.961897091 u |
| Formula | C11H9BrN2OS |
| InChI | InChI=1S/C11H9BrN2OS/c1-2-7-16-11-14-13-10(15-11)8-3-5-9(12)6-4-8/h2-6H,1,7H2 |
| InChIKey | TVYZCPFADFXKOZ-UHFFFAOYSA-N |
| Molecular Weight | 297.170 g/mol |
| SMILES | C1=C(C=CC(=C1)C=1OC(SCC=C)=NN1)Br |