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3,4,5,6,7,8-HEXAHYDRO-2-METHYLTHIO-5-(4-NITROPHENYL)-PYRIDO-[2,3-D]-PYRIMIDINE-4,7-DIONE
SpectraBase Compound ID JcGDdchCLNB
InChI InChI=1S/C14H12N4O4S/c1-23-14-16-12-11(13(20)17-14)9(6-10(19)15-12)7-2-4-8(5-3-7)18(21)22/h2-5,9H,6H2,1H3,(H2,15,16,17,19,20)
InChIKey HGTZHZDQECIXMU-UHFFFAOYSA-N
Mol Weight 332.33 g/mol
Molecular Formula C14H12N4O4S
Exact Mass 332.057926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVzhwkXo1km
Name 3,4,5,6,7,8-HEXAHYDRO-2-METHYLTHIO-5-(4-NITROPHENYL)-PYRIDO-[2,3-D]-PYRIMIDINE-4,7-DIONE
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N4O4S
InChI InChI=1S/C14H12N4O4S/c1-23-14-16-12-11(13(20)17-14)9(6-10(19)15-12)7-2-4-8(5-3-7)18(21)22/h2-5,9H,6H2,1H3,(H2,15,16,17,19,20)
InChIKey HGTZHZDQECIXMU-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 332.334 g/mol
Solvent DMSO-D6
Source File Reference WANG773