John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Lxg2QmbfCZC SpectraBase Spectrum ID=2wbjhsjXj9e

(accessed ).
3'-(4-BENZYL-1,2,3-TRIAZOL-1-YL)-3'-DEOXY-BETA-D-THYMIDINE
SpectraBase Compound ID Lxg2QmbfCZC
InChI InChI=1S/C19H21N5O4/c1-12-9-23(19(27)20-18(12)26)17-8-15(16(11-25)28-17)24-10-14(21-22-24)7-13-5-3-2-4-6-13/h2-6,9-10,15-17,25H,7-8,11H2,1H3,(H,20,26,27)/t15-,16+,17+/m1/s1
InChIKey YSZNONLNIIELSQ-IKGGRYGDSA-N
Mol Weight 383.41 g/mol
Molecular Formula C19H21N5O4
Exact Mass 383.159354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wbjhsjXj9e
Name 3'-(4-BENZYL-1,2,3-TRIAZOL-1-YL)-3'-DEOXY-BETA-D-THYMIDINE
Compound Number 8D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21N5O4
InChI InChI=1S/C19H21N5O4/c1-12-9-23(19(27)20-18(12)26)17-8-15(16(11-25)28-17)24-10-14(21-22-24)7-13-5-3-2-4-6-13/h2-6,9-10,15-17,25H,7-8,11H2,1H3,(H,20,26,27)/t15-,16+,17+/m1/s1
InChIKey YSZNONLNIIELSQ-IKGGRYGDSA-N
Literature Reference Author S.VANPOECKE,A.NEGRI,F.GAGO,I.VANDAELE,N.SOLAROLI,A.KARLSSON, J.BALZARINI,S.VANCAL
Literature Reference Citation J.MED.CHEM.,53,2902(2010)
Literature Reference DOI 10.1021/jm901532h
Molecular Weight 383.407 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46587
SpectraBase Batch ID 51eHcGrXK82