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3,4,5,6,7,8-HEXAHYDRO-2-METHYLTHIO-5-PHENYLPYRIDO-[2,3-D]-PYRIMIDINE-4,7-DIONE
SpectraBase Compound ID 8jNgDSoTcky
InChI InChI=1S/C14H13N3O2S/c1-20-14-16-12-11(13(19)17-14)9(7-10(18)15-12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,15,16,17,18,19)
InChIKey CNIUUCRNKIHQBT-UHFFFAOYSA-N
Mol Weight 287.34 g/mol
Molecular Formula C14H13N3O2S
Exact Mass 287.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HkZTGxnaoU
Name 3,4,5,6,7,8-HEXAHYDRO-2-METHYLTHIO-5-PHENYLPYRIDO-[2,3-D]-PYRIMIDINE-4,7-DIONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13N3O2S
InChI InChI=1S/C14H13N3O2S/c1-20-14-16-12-11(13(19)17-14)9(7-10(18)15-12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,15,16,17,18,19)
InChIKey CNIUUCRNKIHQBT-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,A.HORMAZA,B.INSUASTY,M.NOGUERAS,A.SANCHEZ,N.HANOLD ,H.MEIER
Literature Reference Citation J.HETCYCL.CHEM.,34,521(1997)
Literature Reference DOI 10.1002/jhet.5570340228
Molecular Weight 287.336 g/mol
Solvent DMSO-D6
Source File Reference WANG767