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2-[p-(2-chloro-6-fluorostyryl)benzyl]-3-(3,5-dichlorophenyl)-2-thiopseudourea, monohydrobromide
SpectraBase Compound ID HjR1U7DbPFz
InChI InChI=1S/C22H16Cl3FN2S.BrH/c23-16-10-17(24)12-18(11-16)28-22(27)29-13-15-6-4-14(5-7-15)8-9-19-20(25)2-1-3-21(19)26;/h1-12H,13H2,(H2,27,28);1H
InChIKey WKQISNFTLAUECG-UHFFFAOYSA-N
Mol Weight 546.713 g/mol
Molecular Formula C22H17BrCl3FN2S
Exact Mass 543.934544 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DelKPK831Bm
Name 2-[p-(2-chloro-6-fluorostyryl)benzyl]-3-(3,5-dichlorophenyl)-2-thiopseudourea, monohydrobromide
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Formula C22H17BrCl3FN2S
InChI InChI=1S/C22H16Cl3FN2S.BrH/c23-16-10-17(24)12-18(11-16)28-22(27)29-13-15-6-4-14(5-7-15)8-9-19-20(25)2-1-3-21(19)26;/h1-12H,13H2,(H2,27,28);1H
InChIKey WKQISNFTLAUECG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 48032M
Solvent DMSO-d6