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3-(2-CARBOXYETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE

View entire compound with spectra: 1 NMR

3-(2-CARBOXYETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
SpectraBase Compound ID JcfKKhXKxJd
InChI InChI=1S/C9H8N4O3S/c14-5(15)1-4-13-8(16)6-7(12-9(13)17)11-3-2-10-6/h2-3H,1,4H2,(H,14,15)(H,11,12,17)
InChIKey URIQAIYCXHHREU-UHFFFAOYSA-N
Mol Weight 252.25 g/mol
Molecular Formula C9H8N4O3S
Exact Mass 252.031711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DU0B8W3fwEp
Name 3-(2-CARBOXYETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4O3S
InChI InChI=1S/C9H8N4O3S/c14-5(15)1-4-13-8(16)6-7(12-9(13)17)11-3-2-10-6/h2-3H,1,4H2,(H,14,15)(H,11,12,17)
InChIKey URIQAIYCXHHREU-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 252.248 g/mol
Solvent DMSO-D6
Source File Reference UWCP3153