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TRANS-6-CHLORO-9-(5-ACETOXY-1-OXA-4-THIACYCLOHEXAN-3-YL)-9H-PURINE
SpectraBase Compound ID CVyDh2ZBDcw
InChI InChI=1S/C11H11ClN4O3S/c1-6(17)19-8-3-18-2-7(20-8)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8H,2-3H2,1H3/t7-,8-/m1/s1
InChIKey TVSUNAMUAUNMDD-HTQZYQBOSA-N
Mol Weight 314.75 g/mol
Molecular Formula C11H11ClN4O3S
Exact Mass 314.024039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D859bRTZjgL
Name TRANS-6-CHLORO-9-(5-ACETOXY-1-OXA-4-THIACYCLOHEXAN-3-YL)-9H-PURINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11ClN4O3S
InChI InChI=1S/C11H11ClN4O3S/c1-6(17)19-8-3-18-2-7(20-8)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8H,2-3H2,1H3/t7-,8-/m1/s1
InChIKey TVSUNAMUAUNMDD-HTQZYQBOSA-N
Literature Reference Author W.A.SZAREK,B.M.PINTO,M.IWAKAWA
Literature Reference Citation CAN.J.CHEM.,63,2149(1985)
Literature Reference DOI 10.1139/v85-354
Molecular Weight 314.746 g/mol
Solvent CDCl3
Source File Reference UWED2187