SpectraBase Compound ID | HjR1U7DbPFz |
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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 |
SpectraBase Spectrum ID | DelKPK831Bm |
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Name | 2-[p-(2-chloro-6-fluorostyryl)benzyl]-3-(3,5-dichlorophenyl)-2-thiopseudourea, monohydrobromide |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |