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3-METHYL-7-(2-OXO-2-PHENYL-ETHYLTHIO)-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
SpectraBase Compound ID 2KO3AtK1Osa
InChI InChI=1S/C29H23N5O2S/c1-18-23-24(20-13-7-3-8-14-20)25-26(30-27(23)34(33-18)21-15-9-4-10-16-21)31-29(32-28(25)36)37-17-22(35)19-11-5-2-6-12-19/h2-16,24H,17H2,1H3,(H2,30,31,32,36)
InChIKey YERFWLXAKDFASW-UHFFFAOYSA-N
Mol Weight 505.6 g/mol
Molecular Formula C29H23N5O2S
Exact Mass 505.157246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JOAWnnq8lZ
Name 3-METHYL-7-(2-OXO-2-PHENYL-ETHYLTHIO)-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H23N5O2S
InChI InChI=1S/C29H23N5O2S/c1-18-23-24(20-13-7-3-8-14-20)25-26(30-27(23)34(33-18)21-15-9-4-10-16-21)31-29(32-28(25)36)37-17-22(35)19-11-5-2-6-12-19/h2-16,24H,17H2,1H3,(H2,30,31,32,36)
InChIKey YERFWLXAKDFASW-UHFFFAOYSA-N
Literature Reference Author T.I.EL-EMARY,S.A.A.EL-MOHSEN
Literature Reference Citation MOLECULES,17,14464(2012)
Literature Reference DOI 10.3390/molecules171214464
Molecular Weight 505.594 g/mol
Sample ID 909
Solvent DMSO-D6