![2-[(4,5-diphenylmidazol-2-yl)thio]-3-nitropyridine, hemihydrate](/api/spectrum/4p5iGpy9Aig/structure.png?h=300&w=458 "2-[(4,5-diphenylmidazol-2-yl)thio]-3-nitropyridine, hemihydrate")
| SpectraBase Compound ID | EpKDoEQqqvF |
|---|---|
| InChI | InChI=1S/2C20H14N4O2S.H2O/c2*25-24(26)16-12-7-13-21-19(16)27-20-22-17(14-8-3-1-4-9-14)18(23-20)15-10-5-2-6-11-15;/h2*1-13H,(H,22,23);1H2 |
| InChIKey | VJVSMURVNBJZER-UHFFFAOYSA-N |
| Mol Weight | 383.426 g/mol |
| Molecular Formula | C20H14N4O2S·½H2O |
| Exact Mass | 383.089029 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4p5iGpy9Aig |
|---|---|
| Name | 2-[(4,5-diphenylmidazol-2-yl)thio]-3-nitropyridine, hemihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H16N4O3S |
| InChI | InChI=1S/2C20H14N4O2S.H2O/c2*25-24(26)16-12-7-13-21-19(16)27-20-22-17(14-8-3-1-4-9-14)18(23-20)15-10-5-2-6-11-15;/h2*1-13H,(H,22,23);1H2 |
| InChIKey | VJVSMURVNBJZER-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 35260M |
| Solvent | Polysol |