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3-(2-HYDROXYETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
SpectraBase Compound ID KUPT4JdcBIU
InChI InChI=1S/C8H8N4O2S/c13-4-3-12-7(14)5-6(11-8(12)15)10-2-1-9-5/h1-2,13H,3-4H2,(H,10,11,15)
InChIKey SDGWKGYYPDRNEH-UHFFFAOYSA-N
Mol Weight 224.24 g/mol
Molecular Formula C8H8N4O2S
Exact Mass 224.036797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2p5vIToB6U
Name 3-(2-HYDROXYETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8N4O2S
InChI InChI=1S/C8H8N4O2S/c13-4-3-12-7(14)5-6(11-8(12)15)10-2-1-9-5/h1-2,13H,3-4H2,(H,10,11,15)
InChIKey SDGWKGYYPDRNEH-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 224.237 g/mol
Solvent DMSO-D6
Source File Reference UWCP3149