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2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-6-(3,5-DIMETHYLBENZYL)-5-ISOPROPYL-PYRIMIDINE-4(1H)-ONE
SpectraBase Compound ID dOcpFE1Hl6
InChI InChI=1S/C21H29BrN2O3S/c1-14(2)19-18(12-17-10-15(3)9-16(4)11-17)23-21(24-20(19)25)28-8-7-27-13-26-6-5-22/h9-11,14H,5-8,12-13H2,1-4H3,(H,23,24,25)
InChIKey MKEPYHWONUJXMD-UHFFFAOYSA-N
Mol Weight 469.44 g/mol
Molecular Formula C21H29BrN2O3S
Exact Mass 468.108227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xegnpkEf7I
Name 2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-6-(3,5-DIMETHYLBENZYL)-5-ISOPROPYL-PYRIMIDINE-4(1H)-ONE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29BrN2O3S
InChI InChI=1S/C21H29BrN2O3S/c1-14(2)19-18(12-17-10-15(3)9-16(4)11-17)23-21(24-20(19)25)28-8-7-27-13-26-6-5-22/h9-11,14H,5-8,12-13H2,1-4H3,(H,23,24,25)
InChIKey MKEPYHWONUJXMD-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 469.437 g/mol
Solvent CDCl3
Source File Reference UWCS25487