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5'-S-PROPARGYL-5'-THIOADENOSINE

View entire compound with spectra: 1 NMR

5'-S-PROPARGYL-5'-THIOADENOSINE
SpectraBase Compound ID CutW6nu0IYy
InChI InChI=1S/C13H15N5O3S/c1-2-3-22-4-7-9(19)10(20)13(21-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H2,14,15,16)/t7-,9-,10-,13-/m0/s1
InChIKey XBXUKPOCALYIGN-PYSAPBNWSA-N
Mol Weight 321.36 g/mol
Molecular Formula C13H15N5O3S
Exact Mass 321.089561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKuppHggOXP
Name 5'-S-PROPARGYL-5'-THIOADENOSINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15N5O3S
InChI InChI=1S/C13H15N5O3S/c1-2-3-22-4-7-9(19)10(20)13(21-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H2,14,15,16)/t7-,9-,10-,13-/m0/s1
InChIKey XBXUKPOCALYIGN-PYSAPBNWSA-N
Literature Reference Author G.GUILLERM,D.GIULLERM,C.VANDENPLAS-WITKOWKI,H.ROGNIAUX,N.CAR TE,E.LEIZE,A.V.DORSS
Literature Reference Citation J.MED.CHEM.,44,2743(2001)
Literature Reference DOI 10.1021/jm0108350
Molecular Weight 321.354 g/mol
Sample ID 52822
Solvent CDCl3:CD3OD