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3-(2-ETHOXYCARBONYLMETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
SpectraBase Compound ID AMy3M2cT9e3
InChI InChI=1S/C10H10N4O3S/c1-2-17-6(15)5-14-9(16)7-8(13-10(14)18)12-4-3-11-7/h3-4H,2,5H2,1H3,(H,12,13,18)
InChIKey PKNKPWITZIVDIL-UHFFFAOYSA-N
Mol Weight 266.27 g/mol
Molecular Formula C10H10N4O3S
Exact Mass 266.047361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5nL4rO3Dkq
Name 3-(2-ETHOXYCARBONYLMETHYL)-2-THIOXO-1,2-DIHYDRO-4(3H)-PTERIDINONE
Compound Number 3K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N4O3S
InChI InChI=1S/C10H10N4O3S/c1-2-17-6(15)5-14-9(16)7-8(13-10(14)18)12-4-3-11-7/h3-4H,2,5H2,1H3,(H,12,13,18)
InChIKey PKNKPWITZIVDIL-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 266.274 g/mol
Solvent DMSO-D6
Source File Reference UWCP3154