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7-ETHYLTHIO-3-METHYL-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
SpectraBase Compound ID Ix3ixT32kQA
InChI InChI=1S/C23H21N5OS/c1-3-30-23-25-20-19(22(29)26-23)18(15-10-6-4-7-11-15)17-14(2)27-28(21(17)24-20)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3,(H2,24,25,26,29)
InChIKey WRGSYYHSVJNYSW-UHFFFAOYSA-N
Mol Weight 415.52 g/mol
Molecular Formula C23H21N5OS
Exact Mass 415.146681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Et3r2m7zTkJ
Name 7-ETHYLTHIO-3-METHYL-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21N5OS
InChI InChI=1S/C23H21N5OS/c1-3-30-23-25-20-19(22(29)26-23)18(15-10-6-4-7-11-15)17-14(2)27-28(21(17)24-20)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3,(H2,24,25,26,29)
InChIKey WRGSYYHSVJNYSW-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 415.513 g/mol
Sample ID 907
Solvent DMSO-D6