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6-METHYLTHIO-3-PROPYL-7H-PURIN-2-(3H)-ONE

View entire compound with spectra: 1 NMR

6-METHYLTHIO-3-PROPYL-7H-PURIN-2-(3H)-ONE
SpectraBase Compound ID 3LmFRaRNPPY
InChI InChI=1S/C9H12N4OS/c1-3-4-13-7-6(10-5-11-7)8(15-2)12-9(13)14/h5H,3-4H2,1-2H3,(H,10,11)
InChIKey HPPORKAYWFONCD-UHFFFAOYSA-N
Mol Weight 224.28 g/mol
Molecular Formula C9H12N4OS
Exact Mass 224.073182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SCNP78ANs1
Name 6-METHYLTHIO-3-PROPYL-7H-PURIN-2-(3H)-ONE
Compound Number 7 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N4OS
InChI InChI=1S/C9H12N4OS/c1-3-4-13-7-6(10-5-11-7)8(15-2)12-9(13)14/h5H,3-4H2,1-2H3,(H,10,11)
InChIKey HPPORKAYWFONCD-UHFFFAOYSA-N
Literature Reference Author J.SHIMADA,T.KURODA,F.SUZUKI
Literature Reference Citation J.HETCYCL.CHEM.,30,241(1993)
Literature Reference DOI 10.1002/jhet.5570300141
Molecular Weight 224.280 g/mol
Solvent DMSO-D6
Source File Reference UWPB206