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TRANS-6-CHLORO-9-(5-HYDROXY-1-OXA-4-THIACYCLOHEXAN-2-YL)-9H-PURINE
SpectraBase Compound ID I8ySssDh1RI
InChI InChI=1S/C9H9ClN4O2S/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-17-6(15)1-16-5/h3-6,15H,1-2H2/t5-,6+/m1/s1
InChIKey ASUSDSHHWKXPDY-RITPCOANSA-N
Mol Weight 272.71 g/mol
Molecular Formula C9H9ClN4O2S
Exact Mass 272.013474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GfO3zkHGwuT
Name TRANS-6-CHLORO-9-(5-HYDROXY-1-OXA-4-THIACYCLOHEXAN-2-YL)-9H-PURINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9ClN4O2S
InChI InChI=1S/C9H9ClN4O2S/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-17-6(15)1-16-5/h3-6,15H,1-2H2/t5-,6+/m1/s1
InChIKey ASUSDSHHWKXPDY-RITPCOANSA-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 272.709 g/mol
Solvent DMSO-D6
Source File Reference UWED2193