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1-{alpha-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLIDINO)MERCAPTOMETHYLENE]-p-NITROPHENACYL}QUINOLINIUM HYDROXIDE, INNER SALT

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1-{alpha-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLIDINO)MERCAPTOMETHYLENE]-p-NITROPHENACYL}QUINOLINIUM HYDROXIDE, INNER SALT
SpectraBase Compound ID HQ6KJJrNXel
InChI InChI=1S/C26H15F6N3O3S/c27-25(28,29)17-12-18(26(30,31)32)14-19(13-17)33-24(39)22(23(36)16-7-9-20(10-8-16)35(37)38)34-11-3-5-15-4-1-2-6-21(15)34/h1-14H,(H-,33,36,39)
InChIKey ZIKKWAIJDZJKDI-UHFFFAOYSA-N
Mol Weight 563.47 g/mol
Molecular Formula C26H15F6N3O3S
Exact Mass 563.073832 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73Dnq2CjaP4
Name 1-{a-[(a,a,a,a',a',a'-hexafluoro-3,5-xylidino)mercaptomethylene]-p-nitrophenacyl}quinolinium hydroxide, inner salt
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H15F6N3O3S
InChI InChI=1S/C26H15F6N3O3S/c27-25(28,29)17-12-18(26(30,31)32)14-19(13-17)33-24(39)22(23(36)16-7-9-20(10-8-16)35(37)38)34-11-3-5-15-4-1-2-6-21(15)34/h1-14H,(H-,33,36,39)
InChIKey ZIKKWAIJDZJKDI-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 30975M
Solvent CDCl3