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2-((2,2-DIETHOXYETHYL)-THIO)-5-ETHYL-6-(NAPHTH-1-YL)-PYRIMIDINE-4(3H)-ONE
SpectraBase Compound ID FGbnzURwEfZ
InChI InChI=1S/C22H26N2O3S/c1-4-16-20(18-13-9-11-15-10-7-8-12-17(15)18)23-22(24-21(16)25)28-14-19(26-5-2)27-6-3/h7-13,19H,4-6,14H2,1-3H3,(H,23,24,25)
InChIKey YPYDKGJLIYUORR-UHFFFAOYSA-N
Mol Weight 398.52 g/mol
Molecular Formula C22H26N2O3S
Exact Mass 398.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2vJ8XTkAWa
Name 2-((2,2-DIETHOXYETHYL)-THIO)-5-ETHYL-6-(NAPHTH-1-YL)-PYRIMIDINE-4(3H)-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O3S
InChI InChI=1S/C22H26N2O3S/c1-4-16-20(18-13-9-11-15-10-7-8-12-17(15)18)23-22(24-21(16)25)28-14-19(26-5-2)27-6-3/h7-13,19H,4-6,14H2,1-3H3,(H,23,24,25)
InChIKey YPYDKGJLIYUORR-UHFFFAOYSA-N
Literature Reference Author D.R.IMAM,A.A.EL-BARBARY,C.NIELSEN,E.B.PEDERSEN
Literature Reference Citation MH.CHEM.,133,723(2002)
Literature Reference DOI 10.1007/s007060200044
Molecular Weight 398.520 g/mol
Solvent DMSO-D6