![4-[2-Pyridyl]-3-thiosemicarbazone 4'-bromoacetophenone](/api/spectrum/7JxJIk5CCPf/structure.png?h=300&w=458 "4-[2-Pyridyl]-3-thiosemicarbazone 4'-bromoacetophenone")
| SpectraBase Compound ID | 5UZ1Kt6y5xK |
|---|---|
| InChI | InChI=1S/C14H13BrN4S/c1-10(11-5-7-12(15)8-6-11)18-19-14(20)17-13-4-2-3-9-16-13/h2-9H,1H3,(H2,16,17,19,20)/b18-10+ |
| InChIKey | BRFZTVLPFQRDAI-VCHYOVAHSA-N |
| Mol Weight | 349.25 g/mol |
| Molecular Formula | C14H13BrN4S |
| Exact Mass | 348.004431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JxJIk5CCPf |
|---|---|
| Name | 4-[2-Pyridyl]-3-thiosemicarbazone 4'-bromoacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.004430609 u |
| Formula | C14H13BrN4S |
| InChI | InChI=1S/C14H13BrN4S/c1-10(11-5-7-12(15)8-6-11)18-19-14(20)17-13-4-2-3-9-16-13/h2-9H,1H3,(H2,16,17,19,20)/b18-10+ |
| InChIKey | BRFZTVLPFQRDAI-VCHYOVAHSA-N |
| Molecular Weight | 349.250 g/mol |
| SMILES | C1(\C(=N\NC(NC2=CC=CC=N2)=S)C)=CC=C(C=C1)Br |