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6-BENZYL-5-ETHYL-1-[(ETHYLTHIO)-METHYL]-URACIL
SpectraBase Compound ID BzxQv19Aq44
InChI InChI=1S/C16H20N2O2S/c1-3-13-14(10-12-8-6-5-7-9-12)18(11-21-4-2)16(20)17-15(13)19/h5-9H,3-4,10-11H2,1-2H3,(H,17,19,20)
InChIKey RXJVHLOCMLGTFE-UHFFFAOYSA-N
Mol Weight 304.41 g/mol
Molecular Formula C16H20N2O2S
Exact Mass 304.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtdiYpxkfc
Name 6-BENZYL-5-ETHYL-1-[(ETHYLTHIO)-METHYL]-URACIL
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2O2S
InChI InChI=1S/C16H20N2O2S/c1-3-13-14(10-12-8-6-5-7-9-12)18(11-21-4-2)16(20)17-15(13)19/h5-9H,3-4,10-11H2,1-2H3,(H,17,19,20)
InChIKey RXJVHLOCMLGTFE-UHFFFAOYSA-N
Literature Reference Author K.DANEL,E.LARSEN,E.B.PEDERSEN,B.F.VESTERGAARD,C.NIELSEN
Literature Reference Citation J.MED.CHEM.,39,2427(1996)
Literature Reference DOI 10.1021/jm9600499
Molecular Weight 304.407 g/mol
Solvent CDCl3
Source File Reference UWCS15742