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4'-NITRO-alpha,alpha,alpha-TRIFLUORO-m-ISOVALEROTOLUIDIDE
SpectraBase Compound ID 91SQJiY4zXL
InChI InChI=1S/C12H13F3N2O3/c1-7(2)5-11(18)16-8-3-4-10(17(19)20)9(6-8)12(13,14)15/h3-4,6-7H,5H2,1-2H3,(H,16,18)
InChIKey AZIKTHQZOCPCIR-UHFFFAOYSA-N
Mol Weight 290.24 g/mol
Molecular Formula C12H13F3N2O3
Exact Mass 290.087827 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCc6yv8Db1f
Name 4'-nitro-alpha,alpha,alpha-trifluoro-m-isovalerotoluidide
Source of Sample J. W. Baker, Monsanto Company, Organic Chemicals Division, St. Louis, Missouri
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Formula C12H13F3N2O3
InChI InChI=1S/C12H13F3N2O3/c1-7(2)5-11(18)16-8-3-4-10(17(19)20)9(6-8)12(13,14)15/h3-4,6-7H,5H2,1-2H3,(H,16,18)
InChIKey AZIKTHQZOCPCIR-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference JMCH 10, 93(1967)
Sadtler NMR Number 6261M
Solvent CDCl3
Synonyms M-ISOVALEROTOLUIDIDE, 4*-NITRO-A,A,A- TRIFLUORO-,