| SpectraBase Compound ID | 3N20dJbmnHR |
|---|---|
| InChI | InChI=1S/C11H16N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h4-6,8H,3,7H2,1-2H3,(H2,13,15,16)/b14-9- |
| InChIKey | WYTOKZJSUZKLNF-ZROIWOOFSA-N |
| Mol Weight | 236.34 g/mol |
| Molecular Formula | C11H16N4S |
| Exact Mass | 236.109568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5cmFK3uoim |
|---|---|
| Name | 2-Acetylpyridine 4-N-propylthiosemicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.109567705 u |
| Formula | C11H16N4S |
| InChI | InChI=1S/C11H16N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h4-6,8H,3,7H2,1-2H3,(H2,13,15,16)/b14-9- |
| InChIKey | WYTOKZJSUZKLNF-ZROIWOOFSA-N |
| Molecular Weight | 236.337 g/mol |
| SMILES | C1(=CC=CC=N1)\C(=N/NC(NCCC)=S)C |