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3-(2-PHENYLETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
SpectraBase Compound ID 72VjpY8836K
InChI InChI=1S/C14H12N4OS/c19-13-11-12(16-8-7-15-11)17-14(20)18(13)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,16,17,20)
InChIKey WFOIYWYSMAOVBY-UHFFFAOYSA-N
Mol Weight 284.34 g/mol
Molecular Formula C14H12N4OS
Exact Mass 284.073182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5E7TaN8Xyof
Name 3-(2-PHENYLETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N4OS
InChI InChI=1S/C14H12N4OS/c19-13-11-12(16-8-7-15-11)17-14(20)18(13)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,16,17,20)
InChIKey WFOIYWYSMAOVBY-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 284.335 g/mol
Solvent DMSO-D6
Source File Reference UWCP3148