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6-BENZYL-5-METHYL-3-(3-TRIFLUOROMETHYLPHENYL)-3,7-DIHYDRO-4-H-PYRROLO-[2.3-D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID 62eXjpWaJ8K
InChI InChI=1S/C22H18F3N3O/c1-13-18(11-15-7-4-3-5-8-15)27-20-19(13)21(29)28(14(2)26-20)17-10-6-9-16(12-17)22(23,24)25/h3-10,12,27H,11H2,1-2H3
InChIKey COBGRKFFSXMKGG-UHFFFAOYSA-N
Mol Weight 397.4 g/mol
Molecular Formula C22H18F3N3O
Exact Mass 397.140197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIRcX9X2Rka
Name 6-BENZYL-5-METHYL-3-(3-TRIFLUOROMETHYLPHENYL)-3,7-DIHYDRO-4-H-PYRROLO-[2.3-D]-PYRIMIDIN-4-ONE
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18F3N3O
InChI InChI=1S/C22H18F3N3O/c1-13-18(11-15-7-4-3-5-8-15)27-20-19(13)21(29)28(14(2)26-20)17-10-6-9-16(12-17)22(23,24)25/h3-10,12,27H,11H2,1-2H3
InChIKey COBGRKFFSXMKGG-UHFFFAOYSA-N
Literature Reference Author K.M.H.HILMY,J.MOGENSEN,A.JORGENSEN,E.B.PEDERSEN
Literature Reference Citation HETEROCYCLES,31,367(1990)
Literature Reference DOI 10.3987/COM-89-5253
Molecular Weight 397.400 g/mol
Solvent DMSO-D6
Source File Reference UWMZ648