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3-ALLYL-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
SpectraBase Compound ID D2ZZTSpVCd0
InChI InChI=1S/C9H8N4OS/c1-2-5-13-8(14)6-7(12-9(13)15)11-4-3-10-6/h2-4H,1,5H2,(H,11,12,15)
InChIKey CIZUGODTTYGCEI-UHFFFAOYSA-N
Mol Weight 220.25 g/mol
Molecular Formula C9H8N4OS
Exact Mass 220.041882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FSN0UNjnqf
Name 3-ALLYL-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4OS
InChI InChI=1S/C9H8N4OS/c1-2-5-13-8(14)6-7(12-9(13)15)11-4-3-10-6/h2-4H,1,5H2,(H,11,12,15)
InChIKey CIZUGODTTYGCEI-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 220.249 g/mol
Solvent DMSO-D6
Source File Reference UWCP3147