| SpectraBase Compound ID | 9OS6fur2oBX |
|---|---|
| InChI | InChI=1S/C10H14N4S/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9/h4-7H,3H2,1-2H3,(H2,11,14,15)/b13-8+ |
| InChIKey | JTHKAYIQGRORJA-MDWZMJQESA-N |
| Mol Weight | 222.31 g/mol |
| Molecular Formula | C10H14N4S |
| Exact Mass | 222.093918 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 | 6AiGEpBeAgT |
|---|---|
| Name | Ketone, methyl 2-pyridyl, 4-ethyl-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.093917641 u |
| Formula | C10H14N4S |
| InChI | InChI=1S/C10H14N4S/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9/h4-7H,3H2,1-2H3,(H2,11,14,15)/b13-8+ |
| InChIKey | JTHKAYIQGRORJA-MDWZMJQESA-N |
| Molecular Weight | 222.310 g/mol |
| SMILES | C1=NC(\C(C)=N\NC(NCC)=S)=CC=C1 |