| SpectraBase Compound ID | 6i5Kuq2taOf |
|---|---|
| InChI | InChI=1S/C8H6N2O2S/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4+ |
| InChIKey | NKNQLJMAPSUXLZ-GQCTYLIASA-N |
| Mol Weight | 194.21 g/mol |
| Molecular Formula | C8H6N2O2S |
| Exact Mass | 194.014999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zvrKlODq2d |
|---|---|
| Name | 2,4-Imidazolidinedione, 5-(2-thienylmethylene)-; hydantoin, 5-(2-thenylidene)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.014998613 u |
| Formula | C8H6N2O2S |
| InChI | InChI=1S/C8H6N2O2S/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4+ |
| InChIKey | NKNQLJMAPSUXLZ-GQCTYLIASA-N |
| SMILES | N1C(NC(\C1=C\C1=CC=CS1)=O)=O |