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6-BENZYL-2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-5-ETHYL-PYRIMIDINE-4(1H)-ONE

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6-BENZYL-2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-5-ETHYL-PYRIMIDINE-4(1H)-ONE
SpectraBase Compound ID BMLHFhug8as
InChI InChI=1S/C18H23BrN2O3S/c1-2-15-16(12-14-6-4-3-5-7-14)20-18(21-17(15)22)25-11-10-24-13-23-9-8-19/h3-7H,2,8-13H2,1H3,(H,20,21,22)
InChIKey ZAOUXQUMDSJKHA-UHFFFAOYSA-N
Mol Weight 427.36 g/mol
Molecular Formula C18H23BrN2O3S
Exact Mass 426.061277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79Ie6K8sEZS
Name 6-BENZYL-2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-5-ETHYL-PYRIMIDINE-4(1H)-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23BrN2O3S
InChI InChI=1S/C18H23BrN2O3S/c1-2-15-16(12-14-6-4-3-5-7-14)20-18(21-17(15)22)25-11-10-24-13-23-9-8-19/h3-7H,2,8-13H2,1H3,(H,20,21,22)
InChIKey ZAOUXQUMDSJKHA-UHFFFAOYSA-N
Literature Reference Author O.S.PEDERSEN,L.PETERSEN,M.BRANDT,C.NIELSEN,E.B.PEDERSEN
Literature Reference Citation MH.CHEM.,130,1499(1999)
Literature Reference DOI 10.1007/s007060050310
Molecular Weight 427.356 g/mol
Solvent CDCl3
Source File Reference UWCS25483