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3,7-Dihydro-3-(3-trifluoromethyl-phenyl)-7-phenyl-2,5,6-trimethyl-4H-pyrrolo(2,3-D)pyrimidin-4-imine
SpectraBase Compound ID FlCpWmBITId
InChI InChI=1S/C22H19F3N4/c1-13-14(2)28(17-9-5-4-6-10-17)21-19(13)20(26)29(15(3)27-21)18-11-7-8-16(12-18)22(23,24)25/h4-12,26H,1-3H3
InChIKey GVYUUVFVEGXZAN-UHFFFAOYSA-N
Mol Weight 396.42 g/mol
Molecular Formula C22H19F3N4
Exact Mass 396.156181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQUyHljjUxu
Name 3,7-Dihydro-3-(3-trifluoromethyl-phenyl)-7-phenyl-2,5,6-trimethyl-4H-pyrrolo(2,3-D)pyrimidin-4-imine
CAS Registry Number 90774-63-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H19F3N4
InChI InChI=1S/C22H19F3N4/c1-13-14(2)28(17-9-5-4-6-10-17)21-19(13)20(26)29(15(3)27-21)18-11-7-8-16(12-18)22(23,24)25/h4-12,26H,1-3H3
InChIKey GVYUUVFVEGXZAN-UHFFFAOYSA-N
Literature Reference A. Joergensen, N.S. Girgis, Chemica Scripta 23, 73 (1984).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3