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3-PROPYL-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
SpectraBase Compound ID AhbypxNoprD
InChI InChI=1S/C9H10N4OS/c1-2-5-13-8(14)6-7(12-9(13)15)11-4-3-10-6/h3-4H,2,5H2,1H3,(H,11,12,15)
InChIKey OOGFFHMSGAHCPK-UHFFFAOYSA-N
Mol Weight 222.27 g/mol
Molecular Formula C9H10N4OS
Exact Mass 222.057532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gctnou7ADYY
Name 3-PROPYL-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10N4OS
InChI InChI=1S/C9H10N4OS/c1-2-5-13-8(14)6-7(12-9(13)15)11-4-3-10-6/h3-4H,2,5H2,1H3,(H,11,12,15)
InChIKey OOGFFHMSGAHCPK-UHFFFAOYSA-N
Literature Reference Author U.URLEB,R.NEIDLEIN,W.KRAMER
Literature Reference Citation J.HETCYCL.CHEM.,27,433(1990)
Literature Reference DOI 10.1002/jhet.5570270261
Molecular Weight 222.265 g/mol
Solvent DMSO-D6
Source File Reference UWCP3146