![4-[3-Pyridyl]-3-thiosemicarbazone piperonal](/api/spectrum/CMPDA4YFCK8/structure.png?h=300&w=458 "4-[3-Pyridyl]-3-thiosemicarbazone piperonal")
| SpectraBase Compound ID | DlLdKPucizR |
|---|---|
| InChI | InChI=1S/C14H12N4O2S/c21-14(17-11-2-1-5-15-8-11)18-16-7-10-3-4-12-13(6-10)20-9-19-12/h1-8H,9H2,(H2,17,18,21)/b16-7+ |
| InChIKey | MDTAVKBKYZGUKB-FRKPEAEDSA-N |
| Mol Weight | 300.34 g/mol |
| Molecular Formula | C14H12N4O2S |
| Exact Mass | 300.068097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMPDA4YFCK8 |
|---|---|
| Name | 4-[3-Pyridyl]-3-thiosemicarbazone piperonal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.068096814 u |
| Formula | C14H12N4O2S |
| InChI | InChI=1S/C14H12N4O2S/c21-14(17-11-2-1-5-15-8-11)18-16-7-10-3-4-12-13(6-10)20-9-19-12/h1-8H,9H2,(H2,17,18,21)/b16-7+ |
| InChIKey | MDTAVKBKYZGUKB-FRKPEAEDSA-N |
| Molecular Weight | 300.336 g/mol |
| SMILES | C1=NC=C(C=C1)NC(=S)N\N=C\C=1C=CC2=C(OCO2)C1 |