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1-(BENZYLOXYMETHYL)-7-(4-BrOMOPHENYL)-THIENO-[3,2-D]-PYRIMIDINE-2,4-DIONE
SpectraBase Compound ID 1orxWuvXKTK
InChI InChI=1S/C20H15BrN2O3S/c21-15-8-6-14(7-9-15)16-11-27-18-17(16)23(20(25)22-19(18)24)12-26-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,22,24,25)
InChIKey KFDMOKSPXXOZDM-UHFFFAOYSA-N
Mol Weight 443.32 g/mol
Molecular Formula C20H15BrN2O3S
Exact Mass 441.998677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MmKaFUwWeU
Name 1-(BENZYLOXYMETHYL)-7-(4-BrOMOPHENYL)-THIENO-[3,2-D]-PYRIMIDINE-2,4-DIONE
Compound Number 15G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15BrN2O3S
InChI InChI=1S/C20H15BrN2O3S/c21-15-8-6-14(7-9-15)16-11-27-18-17(16)23(20(25)22-19(18)24)12-26-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,22,24,25)
InChIKey KFDMOKSPXXOZDM-UHFFFAOYSA-N
Literature Reference Author F.JOURDAN,D.LADUREE,M.ROBBA
Literature Reference Citation J.HETCYCL.CHEM.,31,305(1994)
Literature Reference DOI 10.1002/jhet.5570310208
Molecular Weight 443.315 g/mol
Solvent DMSO-D6
Source File Reference UWCS16773