![2-Acetylpyridine 4-[2-phenethyl]-3-thiosemicarbazone](/api/spectrum/56OG635DgCr/structure.png?h=300&w=458 "2-Acetylpyridine 4-[2-phenethyl]-3-thiosemicarbazone")
| SpectraBase Compound ID | LwWOFxFS5dE |
|---|---|
| InChI | InChI=1S/C16H18N4S/c1-13(15-9-5-6-11-17-15)19-20-16(21)18-12-10-14-7-3-2-4-8-14/h2-9,11H,10,12H2,1H3,(H2,18,20,21)/b19-13+ |
| InChIKey | FXUCEMBJWUSEDC-CPNJWEJPSA-N |
| Mol Weight | 298.41 g/mol |
| Molecular Formula | C16H18N4S |
| Exact Mass | 298.125218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 56OG635DgCr |
|---|---|
| Name | 2-Acetylpyridine 4-[2-phenethyl]-3-thiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.125217770 u |
| Formula | C16H18N4S |
| InChI | InChI=1S/C16H18N4S/c1-13(15-9-5-6-11-17-15)19-20-16(21)18-12-10-14-7-3-2-4-8-14/h2-9,11H,10,12H2,1H3,(H2,18,20,21)/b19-13+ |
| InChIKey | FXUCEMBJWUSEDC-CPNJWEJPSA-N |
| Molecular Weight | 298.408 g/mol |
| SMILES | C(N\N=C\(C1=NC=CC=C1)C)(NCCC1=CC=CC=C1)=S |