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3'-(4-CYCLOPENTYLMETHYL-1,2,3-TRIAZOL-1-YL)-3'-DEOXY-BETA-D-THYMIDINE
SpectraBase Compound ID BDyyv5eurRl
InChI InChI=1S/C18H25N5O4/c1-11-8-22(18(26)19-17(11)25)16-7-14(15(10-24)27-16)23-9-13(20-21-23)6-12-4-2-3-5-12/h8-9,12,14-16,24H,2-7,10H2,1H3,(H,19,25,26)/t14-,15+,16+/m1/s1
InChIKey DXQTXFIMYPXSKO-PMPSAXMXSA-N
Mol Weight 375.43 g/mol
Molecular Formula C18H25N5O4
Exact Mass 375.190654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HyFVUt4gEw
Name 3'-(4-CYCLOPENTYLMETHYL-1,2,3-TRIAZOL-1-YL)-3'-DEOXY-BETA-D-THYMIDINE
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25N5O4
InChI InChI=1S/C18H25N5O4/c1-11-8-22(18(26)19-17(11)25)16-7-14(15(10-24)27-16)23-9-13(20-21-23)6-12-4-2-3-5-12/h8-9,12,14-16,24H,2-7,10H2,1H3,(H,19,25,26)/t14-,15+,16+/m1/s1
InChIKey DXQTXFIMYPXSKO-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 375.428 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46588