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ETHYL-2-(3-METHYL-5-OXO-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-7-YLTHIO)-ACETATE
SpectraBase Compound ID CtvqxEwcP2U
InChI InChI=1S/C25H23N5O3S/c1-3-33-18(31)14-34-25-27-22-21(24(32)28-25)20(16-10-6-4-7-11-16)19-15(2)29-30(23(19)26-22)17-12-8-5-9-13-17/h4-13,20H,3,14H2,1-2H3,(H2,26,27,28,32)
InChIKey NVMHTGFUGAYTDO-UHFFFAOYSA-N
Mol Weight 473.55 g/mol
Molecular Formula C25H23N5O3S
Exact Mass 473.152161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXWjiY91ZzL
Name ETHYL-2-(3-METHYL-5-OXO-1,4-DIPHENYL-4,6,9-TRIHYDRO-PYRAZOLO-[5,4-B]-PYRIMIDINO-[5,4-E]-PYRIDIN-7-YLTHIO)-ACETATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23N5O3S
InChI InChI=1S/C25H23N5O3S/c1-3-33-18(31)14-34-25-27-22-21(24(32)28-25)20(16-10-6-4-7-11-16)19-15(2)29-30(23(19)26-22)17-12-8-5-9-13-17/h4-13,20H,3,14H2,1-2H3,(H2,26,27,28,32)
InChIKey NVMHTGFUGAYTDO-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 473.549 g/mol
Sample ID 908
Solvent CDCl3