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3-(CARBOYMETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
SpectraBase Compound ID 9udMsThPQSu
InChI InChI=1S/C8H6N4O3S/c13-4(14)3-12-7(15)5-6(11-8(12)16)10-2-1-9-5/h1-2H,3H2,(H,13,14)(H,10,11,16)
InChIKey AMOIUIYFKGEFCX-UHFFFAOYSA-N
Mol Weight 238.22 g/mol
Molecular Formula C8H6N4O3S
Exact Mass 238.016061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7X9UrWbtkAl
Name 3-(CARBOYMETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6N4O3S
InChI InChI=1S/C8H6N4O3S/c13-4(14)3-12-7(15)5-6(11-8(12)16)10-2-1-9-5/h1-2H,3H2,(H,13,14)(H,10,11,16)
InChIKey AMOIUIYFKGEFCX-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 238.221 g/mol
Solvent DMSO-D6
Source File Reference UWCP3151