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6-BENZYL-1-[(ETHYLTHIO)-METHYL]-5-ISOPROPYLURACIL
SpectraBase Compound ID HO6XarBbtjL
InChI InChI=1S/C17H22N2O2S/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
InChIKey LRDZADSLBBCDGC-UHFFFAOYSA-N
Mol Weight 318.44 g/mol
Molecular Formula C17H22N2O2S
Exact Mass 318.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40UiE07YSFU
Name 6-BENZYL-1-[(ETHYLTHIO)-METHYL]-5-ISOPROPYLURACIL
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N2O2S
InChI InChI=1S/C17H22N2O2S/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
InChIKey LRDZADSLBBCDGC-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 318.434 g/mol
Solvent CDCl3
Source File Reference UWCS15744