![4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-2-[(2-imidazolin-2-yl)thio]acetophenone, monohydrobromide](/api/spectrum/LybyNHzxi2i/structure.png?h=300&w=458 "4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-2-[(2-imidazolin-2-yl)thio]acetophenone, monohydrobromide")
| SpectraBase Compound ID | C3m2JXxCv0y |
|---|---|
| InChI | InChI=1S/C17H22N4O5S.BrH/c1-9-12(11(22)8-27-16-18-6-7-19-16)10(2)15(21(25)26)13(17(3,4)5)14(9)20(23)24;/h6-8H2,1-5H3,(H,18,19);1H |
| InChIKey | AXYKULVQSTYQOF-UHFFFAOYSA-N |
| Mol Weight | 475.358 g/mol |
| Molecular Formula | C17H23BrN4O5S |
| Exact Mass | 474.057254 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LybyNHzxi2i |
|---|---|
| Name | 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-2-[(2-imidazolin-2-yl)thio]acetophenone, monohydrobromide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H23BrN4O5S |
| InChI | InChI=1S/C17H22N4O5S.BrH/c1-9-12(11(22)8-27-16-18-6-7-19-16)10(2)15(21(25)26)13(17(3,4)5)14(9)20(23)24;/h6-8H2,1-5H3,(H,18,19);1H |
| InChIKey | AXYKULVQSTYQOF-UHFFFAOYSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 16921M |
| Solvent | Polysol |