For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(4-CHLOROPHENYLSULFONYL)-GUANIDINE
SpectraBase Compound ID 7FlO4aUNl0c
InChI InChI=1S/C27H32ClN7O10S/c1-13-10-34(26(40)31-23(13)38)21-7-17(20(12-36)45-21)30-25(33-46(42,43)16-5-3-15(28)4-6-16)29-9-19-18(37)8-22(44-19)35-11-14(2)24(39)32-27(35)41/h3-6,10-11,17-22,36-37H,7-9,12H2,1-2H3,(H2,29,30,33)(H,31,38,40)(H,32,39,41)/t17-,18+,19-,20+,21+,22-/m1/s1
InChIKey XPPOXWVTQXTOGC-NPQLIOMISA-N
Mol Weight 682.1 g/mol
Molecular Formula C27H32ClN7O10S
Exact Mass 681.161989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5t6qTv2FhUS
Name N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(4-CHLOROPHENYLSULFONYL)-GUANIDINE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32ClN7O10S
InChI InChI=1S/C27H32ClN7O10S/c1-13-10-34(26(40)31-23(13)38)21-7-17(20(12-36)45-21)30-25(33-46(42,43)16-5-3-15(28)4-6-16)29-9-19-18(37)8-22(44-19)35-11-14(2)24(39)32-27(35)41/h3-6,10-11,17-22,36-37H,7-9,12H2,1-2H3,(H2,29,30,33)(H,31,38,40)(H,32,39,41)/t17-,18+,19-,20+,21+,22-/m1/s1
InChIKey XPPOXWVTQXTOGC-NPQLIOMISA-N
Literature Reference Author F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1567(1993)
Literature Reference DOI 10.1039/p19930001567
Molecular Weight 682.105 g/mol
Solvent ACETONE-D6
Source File Reference UWCP6732