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7-(2,4-DINITRO-PHENYL-THIO)-3-METHYL-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
SpectraBase Compound ID 6b7mA69VPcR
InChI InChI=1S/C27H19N7O5S/c1-15-21-22(16-8-4-2-5-9-16)23-24(28-25(21)32(31-15)17-10-6-3-7-11-17)29-27(30-26(23)35)40-20-13-12-18(33(36)37)14-19(20)34(38)39/h2-14,22H,1H3,(H2,28,29,30,35)
InChIKey CSUYJBLFMIOALG-UHFFFAOYSA-N
Mol Weight 553.55 g/mol
Molecular Formula C27H19N7O5S
Exact Mass 553.116838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlONwBMZdAS
Name 7-(2,4-DINITRO-PHENYL-THIO)-3-METHYL-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-5-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H19N7O5S
InChI InChI=1S/C27H19N7O5S/c1-15-21-22(16-8-4-2-5-9-16)23-24(28-25(21)32(31-15)17-10-6-3-7-11-17)29-27(30-26(23)35)40-20-13-12-18(33(36)37)14-19(20)34(38)39/h2-14,22H,1H3,(H2,28,29,30,35)
InChIKey CSUYJBLFMIOALG-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 553.552 g/mol
Sample ID 915
Solvent DMSO-D6