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7-(4-Fluoro-phenyl)imino-1,3-dimethyl-6-phenyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-pyrimido(4,5-D)pyrimidine
SpectraBase Compound ID 1j3ZIjuuD6g
InChI InChI=1S/C20H16FN5O2/c1-24-17-16(18(27)25(2)20(24)28)12-26(15-6-4-3-5-7-15)19(23-17)22-14-10-8-13(21)9-11-14/h3-12H,1-2H3/b22-19-
InChIKey LCPMKIZYWPAYBB-QOCHGBHMSA-N
Mol Weight 377.38 g/mol
Molecular Formula C20H16FN5O2
Exact Mass 377.128803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jJECTlCWfd
Name 7-(4-Fluoro-phenyl)imino-1,3-dimethyl-6-phenyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-pyrimido(4,5-D)pyrimidine
Comments CDCL3/TFA AS SOLVENT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H16FN5O2
InChI InChI=1S/C20H16FN5O2/c1-24-17-16(18(27)25(2)20(24)28)12-26(15-6-4-3-5-7-15)19(23-17)22-14-10-8-13(21)9-11-14/h3-12H,1-2H3/b22-19-
InChIKey LCPMKIZYWPAYBB-QOCHGBHMSA-N
Instrument Name Bruker AC-200
Literature Reference P. Molina, M.J. Vilaplana, J. Perez, Tetrahedron 46, 7855 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture