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3'-DEOXY-3'-(3,4-DICHLOROPHENYL)-1,2,3-TRIAZOL-1-YL)-BETA-D-THYMIDINE
SpectraBase Compound ID 75kEmc80QgQ
InChI InChI=1S/C18H17Cl2N5O4/c1-9-6-24(18(28)21-17(9)27)16-5-14(15(8-26)29-16)25-7-13(22-23-25)10-2-3-11(19)12(20)4-10/h2-4,6-7,14-16,26H,5,8H2,1H3,(H,21,27,28)/t14-,15+,16+/m1/s1
InChIKey WIFKLHLTMFBZJV-PMPSAXMXSA-N
Mol Weight 438.27 g/mol
Molecular Formula C18H17Cl2N5O4
Exact Mass 437.065759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ev0PHVSv3lh
Name 3'-DEOXY-3'-(3,4-DICHLOROPHENYL)-1,2,3-TRIAZOL-1-YL)-BETA-D-THYMIDINE
Compound Number 8G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17Cl2N5O4
InChI InChI=1S/C18H17Cl2N5O4/c1-9-6-24(18(28)21-17(9)27)16-5-14(15(8-26)29-16)25-7-13(22-23-25)10-2-3-11(19)12(20)4-10/h2-4,6-7,14-16,26H,5,8H2,1H3,(H,21,27,28)/t14-,15+,16+/m1/s1
InChIKey WIFKLHLTMFBZJV-PMPSAXMXSA-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 438.270 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46590