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ETHYL-5-PHENYL-1-(5,6,7,8-TETRAHYDRO-[1]-BENZO-THIENO-[2,3-D]-PYRIMIDIN-4-YL)-1H-PYRAZOL-3-CARBOXYLATE
SpectraBase Compound ID 4GECl4qkbev
InChI InChI=1S/C22H20N4O2S/c1-2-28-22(27)16-12-17(14-8-4-3-5-9-14)26(25-16)20-19-15-10-6-7-11-18(15)29-21(19)24-13-23-20/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3
InChIKey GKCOXHLRZROTCZ-UHFFFAOYSA-N
Mol Weight 404.49 g/mol
Molecular Formula C22H20N4O2S
Exact Mass 404.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Fl5sSSCrqY
Name ETHYL-5-PHENYL-1-(5,6,7,8-TETRAHYDRO-[1]-BENZO-THIENO-[2,3-D]-PYRIMIDIN-4-YL)-1H-PYRAZOL-3-CARBOXYLATE
Compound Number 7B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N4O2S
InChI InChI=1S/C22H20N4O2S/c1-2-28-22(27)16-12-17(14-8-4-3-5-9-14)26(25-16)20-19-15-10-6-7-11-18(15)29-21(19)24-13-23-20/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3
InChIKey GKCOXHLRZROTCZ-UHFFFAOYSA-N
Literature Reference Author R.SOLIMAN,N.S.HABIB,A.A.EL-TOMBARY,S.A.M.EL-HAWASH,O.G.SHAAB AN
Literature Reference Citation SCI.PHARM.,77,755(2009)
Molecular Weight 404.486 g/mol
Sample ID 2971
Solvent CDCl3