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5-CYANO-6-METHYLTHIO-2-(2,2,2-TRICHLORETHYL)-1-PHENYL-1H-PYRIMIDIN-4-ONE

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5-CYANO-6-METHYLTHIO-2-(2,2,2-TRICHLORETHYL)-1-PHENYL-1H-PYRIMIDIN-4-ONE
SpectraBase Compound ID 8U0q5DH0oWh
InChI InChI=1S/C14H10Cl3N3O2S/c1-23-12-10(7-18)11(21)19-13(22-8-14(15,16)17)20(12)9-5-3-2-4-6-9/h2-6H,8H2,1H3
InChIKey YKTWCTMVSCNTIY-UHFFFAOYSA-N
Mol Weight 390.67 g/mol
Molecular Formula C14H10Cl3N3O2S
Exact Mass 388.955931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FyND2hBFbE
Name 5-CYANO-6-METHYLTHIO-2-(2,2,2-TRICHLORETHYL)-1-PHENYL-1H-PYRIMIDIN-4-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H10Cl3N3O2S
InChI InChI=1S/C14H10Cl3N3O2S/c1-23-12-10(7-18)11(21)19-13(22-8-14(15,16)17)20(12)9-5-3-2-4-6-9/h2-6H,8H2,1H3
InChIKey YKTWCTMVSCNTIY-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 390.671 g/mol
Solvent DMSO-D6
Source File Reference UWED14823