![4-[2-Pyridyl]-3-thiosemicarbazone p-chloroacetophenone](/api/spectrum/DEGZ44381Pr/structure.png?h=300&w=458 "4-[2-Pyridyl]-3-thiosemicarbazone p-chloroacetophenone")
| SpectraBase Compound ID | 8y9ZHWszXqF |
|---|---|
| InChI | InChI=1S/C14H13ClN4S/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 | KDMIQPLFFZWZDD-VCHYOVAHSA-N |
| Mol Weight | 304.8 g/mol |
| Molecular Formula | C14H13ClN4S |
| Exact Mass | 304.054945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEGZ44381Pr |
|---|---|
| Name | 4-[2-Pyridyl]-3-thiosemicarbazone p-chloroacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.054945309 u |
| Formula | C14H13ClN4S |
| InChI | InChI=1S/C14H13ClN4S/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 | KDMIQPLFFZWZDD-VCHYOVAHSA-N |
| Molecular Weight | 304.799 g/mol |
| SMILES | C1=CC=CC(=N1)NC(=S)N\N=C\(C1=CC=C(C=C1)Cl)C |