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6-METHYL-2,4-DIOXO-3-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-CARBONITRILE

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6-METHYL-2,4-DIOXO-3-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-CARBONITRILE
SpectraBase Compound ID BjvRPV1F9KJ
InChI InChI=1S/C12H9N3O2/c1-8-10(7-13)11(16)15(12(17)14-8)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,17)
InChIKey NDYIGURXKHDCML-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C12H9N3O2
Exact Mass 227.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4MolOJcImu
Name 6-METHYL-2,4-DIOXO-3-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDIN-5-CARBONITRILE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9N3O2
InChI InChI=1S/C12H9N3O2/c1-8-10(7-13)11(16)15(12(17)14-8)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,17)
InChIKey NDYIGURXKHDCML-UHFFFAOYSA-N
Literature Reference Author K.GEWALD,M.REHWALD,K.ECKERT,H.SCHAEFER,M.GRUNER
Literature Reference Citation MH.CHEM.,126,711(1995)
Literature Reference DOI 10.1007/BF00807162
Molecular Weight 227.222 g/mol
Solvent DMSO-D6
Source File Reference UWPB22