![1H-Pyrazole-1-acetic acid, 3-methyl-, N'-[(methylamino)carbonothioyl]hydrazide](/api/spectrum/HjWrZHS9IFN/structure.png?h=300&w=458 "1H-Pyrazole-1-acetic acid, 3-methyl-, N'-[(methylamino)carbonothioyl]hydrazide")
| SpectraBase Compound ID | 9wXsaMkilyh |
|---|---|
| InChI | InChI=1S/C8H13N5OS/c1-6-3-4-13(12-6)5-7(14)10-11-8(15)9-2/h3-4H,5H2,1-2H3,(H,10,14)(H2,9,11,15) |
| InChIKey | FWRMZHZXEDCUGH-UHFFFAOYSA-N |
| Mol Weight | 227.29 g/mol |
| Molecular Formula | C8H13N5OS |
| Exact Mass | 227.084081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjWrZHS9IFN |
|---|---|
| Name | 1H-Pyrazole-1-acetic acid, 3-methyl-, N'-[(methylamino)carbonothioyl]hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.084081232 u |
| Formula | C8H13N5OS |
| InChI | InChI=1S/C8H13N5OS/c1-6-3-4-13(12-6)5-7(14)10-11-8(15)9-2/h3-4H,5H2,1-2H3,(H,10,14)(H2,9,11,15) |
| InChIKey | FWRMZHZXEDCUGH-UHFFFAOYSA-N |
| Molecular Weight | 227.286 g/mol |
| SMILES | C(C(NNC(NC)=S)=O)N1C=CC(C)=N1 |