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6-(2-SULFANYLETHYL)-9H-PURINE

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6-(2-SULFANYLETHYL)-9H-PURINE
SpectraBase Compound ID K706Lcz1X4Y
InChI InChI=1S/C7H8N4S/c12-2-1-5-6-7(10-3-8-5)11-4-9-6/h3-4,12H,1-2H2,(H,8,9,10,11)
InChIKey XQKCXZVAOITQLF-UHFFFAOYSA-N
Mol Weight 180.23 g/mol
Molecular Formula C7H8N4S
Exact Mass 180.046967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGe9koe12kp
Name 6-(2-SULFANYLETHYL)-9H-PURINE
Compound Number 18F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8N4S
InChI InChI=1S/C7H8N4S/c12-2-1-5-6-7(10-3-8-5)11-4-9-6/h3-4,12H,1-2H2,(H,8,9,10,11)
InChIKey XQKCXZVAOITQLF-UHFFFAOYSA-N
Literature Reference Author M.KUCHAR,R.POHL,I.VOTRUBA,M.HOCEK
Literature Reference Citation EUR.J.ORG.CHEM.,5083(2006)
Molecular Weight 180.227 g/mol
Sample ID 33038
Solvent DMSO-D6