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DOOUAOGSBXEEIW-UHFFFAOYSA-N

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DOOUAOGSBXEEIW-UHFFFAOYSA-N
SpectraBase Compound ID 4MIFQhcTmTh
InChI InChI=1S/C12H9N3O3/c13-6-8-3-1-7(2-4-8)5-9-10(16)14-12(18)15-11(9)17/h1-4,9H,5H2,(H2,14,15,16,17,18)
InChIKey DOOUAOGSBXEEIW-UHFFFAOYSA-N
Mol Weight 243.22 g/mol
Molecular Formula C12H9N3O3
Exact Mass 243.064391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fBPsggtYeu
Name 5-(PARA-CYANOBENZYL)-BARBITURIC-ACID;KETO-FORM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9N3O3
InChI InChI=1S/C12H9N3O3/c13-6-8-3-1-7(2-4-8)5-9-10(16)14-12(18)15-11(9)17/h1-4,9H,5H2,(H2,14,15,16,17,18)
InChIKey DOOUAOGSBXEEIW-UHFFFAOYSA-N
Literature Reference Author M.V.JOVANOVIC,E.R.BIEHL
Literature Reference Citation HETEROCYCLES,24,3129(1986)
Literature Reference DOI 10.3987/R-1986-11-3129
Molecular Weight 243.222 g/mol
Solvent DMSO
Source File Reference UWED8915