| SpectraBase Compound ID | I1PV5CrMXsn |
|---|---|
| InChI | InChI=1S/C12H16N4O2S/c1-3-18-11(17)8-14-12(19)16-15-9(2)10-6-4-5-7-13-10/h4-7H,3,8H2,1-2H3,(H2,14,16,19)/b15-9+ |
| InChIKey | QBSIWRATJUWCLC-OQLLNIDSSA-N |
| Mol Weight | 280.35 g/mol |
| Molecular Formula | C12H16N4O2S |
| Exact Mass | 280.099397 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TdWFGZbr7A |
|---|---|
| Name | 4-Carbethoxymethyl-3-thiosemicarbazone 2-acetylpyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.099396943 u |
| Formula | C12H16N4O2S |
| InChI | InChI=1S/C12H16N4O2S/c1-3-18-11(17)8-14-12(19)16-15-9(2)10-6-4-5-7-13-10/h4-7H,3,8H2,1-2H3,(H2,14,16,19)/b15-9+ |
| InChIKey | QBSIWRATJUWCLC-OQLLNIDSSA-N |
| SMILES | C1(=CC=CC=N1)\C(=N\NC(NCC(=O)OCC)=S)C |