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6-[(3-NITRO-2-PYRIDYL)THIO]-alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINE (HIGH MELTING ISOMER)
SpectraBase Compound ID 8KnRieTzBIC
InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)7-3-4-10(8(16)6-7)21-11-9(18(19)20)2-1-5-17-11/h1-6H,16H2
InChIKey AOWDAQLMXGMIMZ-UHFFFAOYSA-N
Mol Weight 315.27 g/mol
Molecular Formula C12H8F3N3O2S
Exact Mass 315.028932 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QbuCHnuLHX
Name 6-[(3-nitro-2-pyridyl)thio]-alpha,alpha,alpha-trifluoro-m-toluidine(high melting isomer)
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Formula C12H8F3N3O2S
InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)7-3-4-10(8(16)6-7)21-11-9(18(19)20)2-1-5-17-11/h1-6H,16H2
InChIKey AOWDAQLMXGMIMZ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 36782M
Solvent CDCl3