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2-OXO-2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-METHYL-2-(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLUIDINO)PROPYL ESTER
SpectraBase Compound ID ICR5S31RX31
InChI InChI=1S/C21H17F3N2O6/c1-20(2,25-15-8-7-13(21(22,23)24)10-16(15)26(29)30)11-31-18(27)14-9-12-5-3-4-6-17(12)32-19(14)28/h3-10,25H,11H2,1-2H3
InChIKey YKLHPVWQDHIFPL-UHFFFAOYSA-N
Mol Weight 450.37 g/mol
Molecular Formula C21H17F3N2O6
Exact Mass 450.103871 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SqM08HDdPL
Name 2-oxo-2H-1-benzopyran-3-carboxylic acid, 2-methyl-2-(2-nitro-alpha,alpha,alpha-trifluoro-p-toluidino)propyl ester
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Formula C21H17F3N2O6
InChI InChI=1S/C21H17F3N2O6/c1-20(2,25-15-8-7-13(21(22,23)24)10-16(15)26(29)30)11-31-18(27)14-9-12-5-3-4-6-17(12)32-19(14)28/h3-10,25H,11H2,1-2H3
InChIKey YKLHPVWQDHIFPL-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46032M
Solvent CDCl3