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-METHYLSULFONYL)-GUANIDINE
SpectraBase Compound ID 50jmpZ3JvmI
InChI InChI=1S/C28H35N7O10S/c1-14-4-6-17(7-5-14)46(42,43)33-26(29-10-20-19(37)9-23(44-20)35-12-16(3)25(39)32-28(35)41)30-18-8-22(45-21(18)13-36)34-11-15(2)24(38)31-27(34)40/h4-7,11-12,18-23,36-37H,8-10,13H2,1-3H3,(H2,29,30,33)(H,31,38,40)(H,32,39,41)/t18-,19+,20-,21+,22+,23-/m1/s1
InChIKey YOPFFHXMSBTXRA-LLFXUEIYSA-N
Mol Weight 661.7 g/mol
Molecular Formula C28H35N7O10S
Exact Mass 661.216612 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 1aWHfjoethx
Name N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(4-METHYLSULFONYL)-GUANIDINE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35N7O10S
InChI InChI=1S/C28H35N7O10S/c1-14-4-6-17(7-5-14)46(42,43)33-26(29-10-20-19(37)9-23(44-20)35-12-16(3)25(39)32-28(35)41)30-18-8-22(45-21(18)13-36)34-11-15(2)24(38)31-27(34)40/h4-7,11-12,18-23,36-37H,8-10,13H2,1-3H3,(H2,29,30,33)(H,31,38,40)(H,32,39,41)/t18-,19+,20-,21+,22+,23-/m1/s1
InChIKey YOPFFHXMSBTXRA-LLFXUEIYSA-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 661.687 g/mol
Solvent ACETONE-D6
Source File Reference UWCP6731