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5'-FLUORO-5'-S-(4-CHLOROPHENYL)-5'-THIOADENOSINE;MIXTURE_OF_5'-R_AND_5'-S
SpectraBase Compound ID 7GfsmBHp5FF
InChI InChI=1S/2C16H15ClFN5O3S/c2*17-7-1-3-8(4-2-7)27-13(18)12-10(24)11(25)16(26-12)23-6-22-9-14(19)20-5-21-15(9)23/h2*1-6,10-13,16,24-25H,(H2,19,20,21)/t2*10-,11+,12-,13+,16+/m10/s1
InChIKey SDMHVJYKFOCZME-JGMWCLJPSA-N
Mol Weight 823.68 g/mol
Molecular Formula C32H30Cl2F2N10O6S2
Exact Mass 822.113633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Kv4Qfl755L
Name 5'-FLUORO-5'-S-(4-CHLOROPHENYL)-5'-THIOADENOSINE;MIXTURE_OF_5'-R_AND_5'-S
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30Cl2F2N10O6S2
InChI InChI=1S/2C16H15ClFN5O3S/c2*17-7-1-3-8(4-2-7)27-13(18)12-10(24)11(25)16(26-12)23-6-22-9-14(19)20-5-21-15(9)23/h2*1-6,10-13,16,24-25H,(H2,19,20,21)/t2*10-,11+,12-,13+,16+/m10/s1
InChIKey SDMHVJYKFOCZME-JGMWCLJPSA-N
Literature Reference Author M.J.ROBINS,S.F.WNUK,K.B.MULLAH,N.K.DALLEY,C.S.YUAN,Y.LEE,R.T .BORCHARDT
Literature Reference Citation J.ORG.CHEM.,59,544(1994)
Literature Reference DOI 10.1021/jo00082a010
Molecular Weight 823.676 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2457