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5'-S-(4-CHLOROPHENYL)-5'-THIOADENOSINE

View entire compound with spectra: 1 NMR

5'-S-(4-CHLOROPHENYL)-5'-THIOADENOSINE
SpectraBase Compound ID 9kLwGSwNq1G
InChI InChI=1S/C16H16ClN5O3S/c17-8-1-3-9(4-2-8)26-5-10-12(23)13(24)16(25-10)22-7-21-11-14(18)19-6-20-15(11)22/h1-4,6-7,10,12-13,16,23-24H,5H2,(H2,18,19,20)/t10-,12-,13-,16-/m0/s1
InChIKey MWNFZCJMFAAEKB-SDPXSBNPSA-N
Mol Weight 393.85 g/mol
Molecular Formula C16H16ClN5O3S
Exact Mass 393.066238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqN03mcbpS1
Name 5'-S-(4-CHLOROPHENYL)-5'-THIOADENOSINE
Compound Number 1C
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16ClN5O3S
InChI InChI=1S/C16H16ClN5O3S/c17-8-1-3-9(4-2-8)26-5-10-12(23)13(24)16(25-10)22-7-21-11-14(18)19-6-20-15(11)22/h1-4,6-7,10,12-13,16,23-24H,5H2,(H2,18,19,20)/t10-,12-,13-,16-/m0/s1
InChIKey MWNFZCJMFAAEKB-SDPXSBNPSA-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 393.848 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2452