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9-BENZYL-6-[(1,3-DITHIOLAN-2-YL)-METHYL]-PURINE
SpectraBase Compound ID Eb3w1hOfXRz
InChI InChI=1S/C16H16N4S2/c1-2-4-12(5-3-1)9-20-11-19-15-13(17-10-18-16(15)20)8-14-21-6-7-22-14/h1-5,10-11,14H,6-9H2
InChIKey QAOBWOHWHRMLTM-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C16H16N4S2
Exact Mass 328.081639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOCPmAuamV5
Name 9-BENZYL-6-[(1,3-DITHIOLAN-2-YL)-METHYL]-PURINE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N4S2
InChI InChI=1S/C16H16N4S2/c1-2-4-12(5-3-1)9-20-11-19-15-13(17-10-18-16(15)20)8-14-21-6-7-22-14/h1-5,10-11,14H,6-9H2
InChIKey QAOBWOHWHRMLTM-UHFFFAOYSA-N
Literature Reference Author M.KUCHAR,R.POHL,I.VOTRUBA,M.HOCEK
Literature Reference Citation EUR.J.ORG.CHEM.,5083(2006)
Molecular Weight 328.450 g/mol
Sample ID 33022
Solvent CDCl3