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URVVBUGPQUQHCF-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

URVVBUGPQUQHCF-UHFFFAOYSA-N
SpectraBase Compound ID 42dWXEXD8bH
InChI InChI=1S/C11H12N4O3S/c1-3-18-7(16)6-15-10(17)8-9(13-5-4-12-8)14-11(15)19-2/h4-5H,3,6H2,1-2H3
InChIKey URVVBUGPQUQHCF-UHFFFAOYSA-N
Mol Weight 280.3 g/mol
Molecular Formula C11H12N4O3S
Exact Mass 280.063011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPqDMJaMSIy
Name 3-(2-ETHOXYCARBONYLMETHYL)-2-METHYLTHIO-1,2-DIHYDRO-4(3H)-PTERIDINONE
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N4O3S
InChI InChI=1S/C11H12N4O3S/c1-3-18-7(16)6-15-10(17)8-9(13-5-4-12-8)14-11(15)19-2/h4-5H,3,6H2,1-2H3
InChIKey URVVBUGPQUQHCF-UHFFFAOYSA-N
Literature Reference Author A.Z.M.S.CHOWDHURY,Y.SHIBATA,M.MORITA,K.KAYA,K.HIRATANI
Literature Reference Citation J.HETCYCL.CHEM.,38,1173(2001)
Literature Reference DOI 10.1002/jhet.5570380522
Molecular Weight 280.301 g/mol
Solvent CDCl3
Source File Reference UWLU21503