John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9w0fjjYDG3V SpectraBase Spectrum ID=10wbEPR9xRj

(accessed ).
N-(6)-(4-TOLYLSULFONYLETHYL)_ADENOSINE;A-N6-TSE
SpectraBase Compound ID 9w0fjjYDG3V
InChI InChI=1S/C19H23N5O6S/c1-11-2-4-12(5-3-11)31(28,29)7-6-20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(8-25)30-19/h2-5,9-10,13,15-16,19,25-27H,6-8H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m0/s1
InChIKey FVVCDWBIICEKKD-FJXLLPKBSA-N
Mol Weight 449.48 g/mol
Molecular Formula C19H23N5O6S
Exact Mass 449.136906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10wbEPR9xRj
Name N-(6)-(4-TOLYLSULFONYLETHYL)_ADENOSINE;A-N6-TSE
Compound Number 11
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H23N5O6S
InChI InChI=1S/C19H23N5O6S/c1-11-2-4-12(5-3-11)31(28,29)7-6-20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(8-25)30-19/h2-5,9-10,13,15-16,19,25-27H,6-8H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m0/s1
InChIKey FVVCDWBIICEKKD-FJXLLPKBSA-N
Literature Reference Author C.ZHOU,W.PATHMASIRI,D.HONCHARENKO,S.CHATTERJEE,J.BARMAN,J.CH ATTOPADHYAYA
Literature Reference Citation CAN.J.CHEM.,85,293(2007)
Literature Reference DOI 10.1139/v07-025
Molecular Weight 449.482 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWMZ46397
SpectraBase Batch ID op532baCPS