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[1-(15)-N,6-(15)-NH2]-2',3',5'-TRI-O-ACETYL-N-(6)-BENZOYLADENOSINE
SpectraBase Compound ID 67m6JhZ9N1H
InChI InChI=1S/C23H23N5O8/c1-12(29)33-9-16-18(34-13(2)30)19(35-14(3)31)23(36-16)28-11-26-17-20(24-10-25-21(17)28)27-22(32)15-7-5-4-6-8-15/h4-8,10-11,16,18-19,23H,9H2,1-3H3,(H,24,25,27,32)/t16-,18-,19-,23-/m1/s1/i24+1,27+1
InChIKey AVWLAAMRGGKGRS-DTIJVSIKSA-N
Mol Weight 499.45 g/mol
Molecular Formula C23H23N315N2O8
Exact Mass 499.148733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Itde3wZmXO
Name [1-(15)-N,6-(15)-NH2]-2',3',5'-TRI-O-ACETYL-N-(6)-BENZOYLADENOSINE
Compound Number 2A**
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23N315N2O8
InChI InChI=1S/C23H23N5O8/c1-12(29)33-9-16-18(34-13(2)30)19(35-14(3)31)23(36-16)28-11-26-17-20(24-10-25-21(17)28)27-22(32)15-7-5-4-6-8-15/h4-8,10-11,16,18-19,23H,9H2,1-3H3,(H,24,25,27,32)/t16-,18-,19-,23-/m1/s1/i24+1,27+1
InChIKey AVWLAAMRGGKGRS-DTIJVSIKSA-N
Literature Reference Author M.TERRAZAS,X.ARIZA,J.FARRAS,J.M.GUISADO-YANG,J.VILARRASA
Literature Reference Citation J.ORG.CHEM.,69,5473(2004)
Literature Reference DOI 10.1021/jo049490u
Molecular Weight 499.451 g/mol
Solvent CDCl3
Source File Reference UWVN22138