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5-CYANO-1-BUTYL-6-METHYLTHIO-3-PHENYL-1H,3H-PYRIMIDIN-2,4-DIONE

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5-CYANO-1-BUTYL-6-METHYLTHIO-3-PHENYL-1H,3H-PYRIMIDIN-2,4-DIONE
SpectraBase Compound ID LFYfF3qx3Nk
InChI InChI=1S/C16H17N3O2S/c1-3-4-10-18-15(22-2)13(11-17)14(20)19(16(18)21)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKey QUNHLFNTSNQWBZ-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C16H17N3O2S
Exact Mass 315.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KldsR51EsOP
Name 5-CYANO-1-BUTYL-6-METHYLTHIO-3-PHENYL-1H,3H-PYRIMIDIN-2,4-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N3O2S
InChI InChI=1S/C16H17N3O2S/c1-3-4-10-18-15(22-2)13(11-17)14(20)19(16(18)21)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKey QUNHLFNTSNQWBZ-UHFFFAOYSA-N
Literature Reference Author M.GELBIN,D.MARTIN
Literature Reference Citation J.PRAKT.CHEM.,329,753(1987)
Literature Reference DOI 10.1002/prac.19873290502
Molecular Weight 315.390 g/mol
Solvent DMSO-D6
Source File Reference UWED14809