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3-ETHYLTHIO-11-ETHYL-8-METHYL-6,9-DIPHENYL-4,5,9,11-TETRAHYDRO-PYRAZOLO-[5,4-B]-1,2,4-TRIAZOLO-[4',3'-2,1]-PYRIMIDINO-[5,4-E]-PYRIDIN-10-ONE
SpectraBase Compound ID 9PAy1sqPzA
InChI InChI=1S/C26H25N7OS/c1-4-31-24(34)21-20(17-12-8-6-9-13-17)19-16(3)30-33(18-14-10-7-11-15-18)23(19)27-22(21)32-25(31)28-29-26(32)35-5-2/h6-15,20,27H,4-5H2,1-3H3
InChIKey JYEXFOOSGBBZJD-UHFFFAOYSA-N
Mol Weight 483.59 g/mol
Molecular Formula C26H25N7OS
Exact Mass 483.18413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOS7SkzOhqm
Name 3-ETHYLTHIO-11-ETHYL-8-METHYL-6,9-DIPHENYL-4,5,9,11-TETRAHYDRO-PYRAZOLO-[5,4-B]-1,2,4-TRIAZOLO-[4',3'-2,1]-PYRIMIDINO-[5,4-E]-PYRIDIN-10-ONE
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H25N7OS
InChI InChI=1S/C26H25N7OS/c1-4-31-24(34)21-20(17-12-8-6-9-13-17)19-16(3)30-33(18-14-10-7-11-15-18)23(19)27-22(21)32-25(31)28-29-26(32)35-5-2/h6-15,20,27H,4-5H2,1-3H3
InChIKey JYEXFOOSGBBZJD-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 483.591 g/mol
Sample ID 921
Solvent DMSO-D6