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2-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]propyl]isoindoline-1,3-quinone
SpectraBase Compound ID 6mEmnfu9soB
InChI InChI=1S/C21H22N6O5S/c22-17-14-18(24-9-23-17)27(10-25-14)21-16(29)15(28)13(32-21)8-33-7-3-6-26-19(30)11-4-1-2-5-12(11)20(26)31/h1-2,4-5,9-10,13,15-16,21,28-29H,3,6-8H2,(H2,22,23,24)/t13-,15-,16-,21-/m1/s1
InChIKey ZPQDAIAXWFVXEV-GJDPQZJCSA-N
Mol Weight 470.5 g/mol
Molecular Formula C21H22N6O5S
Exact Mass 470.137239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFbPiDD37sC
Name 2-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]propyl]isoindoline-1,3-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N6O5S
InChI InChI=1S/C21H22N6O5S/c22-17-14-18(24-9-23-17)27(10-25-14)21-16(29)15(28)13(32-21)8-33-7-3-6-26-19(30)11-4-1-2-5-12(11)20(26)31/h1-2,4-5,9-10,13,15-16,21,28-29H,3,6-8H2,(H2,22,23,24)/t13-,15-,16-,21-/m1/s1
InChIKey ZPQDAIAXWFVXEV-GJDPQZJCSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 470.503 g/mol
Source File Reference MHKO15912