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6-BENZYL-5-METHYL-3-(4-CHLOROPHENYL)-3,7-DIHYDRO-4-H-PYRROLO-[2.3-D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID 7N0sUB5JGZZ
InChI InChI=1S/C21H18ClN3O/c1-13-18(12-15-6-4-3-5-7-15)24-20-19(13)21(26)25(14(2)23-20)17-10-8-16(22)9-11-17/h3-11,24H,12H2,1-2H3
InChIKey PAYBJCWKRNAHTB-UHFFFAOYSA-N
Mol Weight 363.85 g/mol
Molecular Formula C21H18ClN3O
Exact Mass 363.11384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADARsgKsV9n
Name 6-BENZYL-5-METHYL-3-(4-CHLOROPHENYL)-3,7-DIHYDRO-4-H-PYRROLO-[2.3-D]-PYRIMIDIN-4-ONE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClN3O
InChI InChI=1S/C21H18ClN3O/c1-13-18(12-15-6-4-3-5-7-15)24-20-19(13)21(26)25(14(2)23-20)17-10-8-16(22)9-11-17/h3-11,24H,12H2,1-2H3
InChIKey PAYBJCWKRNAHTB-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 363.846 g/mol
Solvent DMSO-D6
Source File Reference UWMZ646