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1-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-3-{N-{2-{[3-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2-thioureido]carbonyl}-4-nitrophenyl}anthraniloyl}-2-thiourea

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1-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-3-{N-{2-{[3-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2-thioureido]carbonyl}-4-nitrophenyl}anthraniloyl}-2-thiourea
SpectraBase Compound ID 50v5rrl8WiV
InChI InChI=1S/C32H18F12N6O4S2/c33-29(34,35)14-7-15(30(36,37)38)10-18(9-14)45-27(55)48-25(51)21-3-1-2-4-23(21)47-24-6-5-20(50(53)54)13-22(24)26(52)49-28(56)46-19-11-16(31(39,40)41)8-17(12-19)32(42,43)44/h1-13,47H,(H2,45,48,51,55)(H2,46,49,52,56)
InChIKey XDQHFDRTAXDBJV-UHFFFAOYSA-N
Mol Weight 842.6 g/mol
Molecular Formula C32H18F12N6O4S2
Exact Mass 842.063933 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kiP9bP5YBr
Name 1-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-3-{N-{2-{[3-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2-thioureido]carbonyl}-4-nitrophenyl}anthraniloyl}-2-thiourea
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Formula C32H18F12N6O4S2
InChI InChI=1S/C32H18F12N6O4S2/c33-29(34,35)14-7-15(30(36,37)38)10-18(9-14)45-27(55)48-25(51)21-3-1-2-4-23(21)47-24-6-5-20(50(53)54)13-22(24)26(52)49-28(56)46-19-11-16(31(39,40)41)8-17(12-19)32(42,43)44/h1-13,47H,(H2,45,48,51,55)(H2,46,49,52,56)
InChIKey XDQHFDRTAXDBJV-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 33205M
Solvent Polysol