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

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2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-5-ETHYL-6-(THIEN-2-YL-METHYL)-PYRIMIDINE-4(1H)-ONE
SpectraBase Compound ID ELmF0XrBsIZ
InChI InChI=1S/C16H21BrN2O3S2/c1-2-13-14(10-12-4-3-8-23-12)18-16(19-15(13)20)24-9-7-22-11-21-6-5-17/h3-4,8H,2,5-7,9-11H2,1H3,(H,18,19,20)
InChIKey AKKSYYWRPKFOOO-UHFFFAOYSA-N
Mol Weight 433.38 g/mol
Molecular Formula C16H21BrN2O3S2
Exact Mass 432.017698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXEmhhzRhI9
Name 2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-5-ETHYL-6-(THIEN-2-YL-METHYL)-PYRIMIDINE-4(1H)-ONE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21BrN2O3S2
InChI InChI=1S/C16H21BrN2O3S2/c1-2-13-14(10-12-4-3-8-23-12)18-16(19-15(13)20)24-9-7-22-11-21-6-5-17/h3-4,8H,2,5-7,9-11H2,1H3,(H,18,19,20)
InChIKey AKKSYYWRPKFOOO-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 433.378 g/mol
Solvent CDCl3
Source File Reference UWCS25485