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2,3-DIHYDRO-6-(3,5-DIMETHYLBENZYL)-5-ISOPROPYL-2-THIOXOPYRIMIDIN-4(1H)-ONE
SpectraBase Compound ID 77JUAjyZTWn
InChI InChI=1S/C16H20N2OS/c1-9(2)14-13(17-16(20)18-15(14)19)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,17,18,19,20)
InChIKey BURVNGUZDLPEFU-UHFFFAOYSA-N
Mol Weight 288.41 g/mol
Molecular Formula C16H20N2OS
Exact Mass 288.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhK7KWWlmE7
Name 2,3-DIHYDRO-6-(3,5-DIMETHYLBENZYL)-5-ISOPROPYL-2-THIOXOPYRIMIDIN-4(1H)-ONE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2OS
InChI InChI=1S/C16H20N2OS/c1-9(2)14-13(17-16(20)18-15(14)19)8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,17,18,19,20)
InChIKey BURVNGUZDLPEFU-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 288.408 g/mol
Solvent DMSO-D6
Source File Reference UWCS25481