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5-ALLYL-6-BENZYL-1-METHYLTHIOMETHYL-1H-PYRIMIDINE-2,4-DIONE

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5-ALLYL-6-BENZYL-1-METHYLTHIOMETHYL-1H-PYRIMIDINE-2,4-DIONE
SpectraBase Compound ID Eo9A3yWGtkG
InChI InChI=1S/C16H18N2O2S/c1-3-7-13-14(10-12-8-5-4-6-9-12)18(11-21-2)16(20)17-15(13)19/h3-6,8-9H,1,7,10-11H2,2H3,(H,17,19,20)
InChIKey UPPUHTIKHFIMHD-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C16H18N2O2S
Exact Mass 302.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26sVT2WlVr4
Name 5-ALLYL-6-BENZYL-1-METHYLTHIOMETHYL-1H-PYRIMIDINE-2,4-DIONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N2O2S
InChI InChI=1S/C16H18N2O2S/c1-3-7-13-14(10-12-8-5-4-6-9-12)18(11-21-2)16(20)17-15(13)19/h3-6,8-9H,1,7,10-11H2,2H3,(H,17,19,20)
InChIKey UPPUHTIKHFIMHD-UHFFFAOYSA-N
Literature Reference Author L.PETERSEN,T.H.HANSEN,N.M.KHALIFA,P.T.JORGENSEN,E.B.PEDERSEN ,C.NIELSEN
Literature Reference Citation MH.CHEM.,133,1031(2002)
Literature Reference DOI 10.1007/s007060200072
Molecular Weight 302.391 g/mol
Solvent CDCl3
Source File Reference UWKP4514