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N-(4-Chloro-3-trifluoromethyl-phenyl)-1-benzyl-5,6-dimethyl-furo(2,3-D)pyrimidin-4-amine cation
SpectraBase Compound ID 9PeAhSSGn5K
InChI InChI=1S/C22H17ClF3N3O/c1-13-14(2)30-21-19(13)20(27-12-29(21)11-15-6-4-3-5-7-15)28-16-8-9-18(23)17(10-16)22(24,25)26/h3-10,12H,11H2,1-2H3/p+1
InChIKey WWKWMQNXYWEXRM-UHFFFAOYSA-O
Mol Weight 432.85 g/mol
Molecular Formula C22H18ClF3N3O
Exact Mass 432.109049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HokBTrhqQS
Name N-(4-Chloro-3-trifluoromethyl-phenyl)-1-benzyl-5,6-dimethyl-furo(2,3-D)pyrimidin-4-amine cation
Comments bromide
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Formula C22H18ClF3N3O
InChI InChI=1S/C22H17ClF3N3O/c1-13-14(2)30-21-19(13)20(27-12-29(21)11-15-6-4-3-5-7-15)28-16-8-9-18(23)17(10-16)22(24,25)26/h3-10,12H,11H2,1-2H3/p+1
InChIKey WWKWMQNXYWEXRM-UHFFFAOYSA-O
Instrument Name Jeol FX-60
Literature Reference F. Johannsen, A. Jorgensen, Chemica Scripta 26, 337 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3