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1-[5,6-DIDEOXY-5(S)-METHYLTHIO-6-(PARA-TOLUENSULFONYL)-BETA-D-RIBO-HEXOFURANOSYL]-URACIL
SpectraBase Compound ID G2nkYcKq3QP
InChI InChI=1S/C18H22N2O7S2/c1-10-3-5-11(6-4-10)29(25,26)9-12(28-2)16-14(22)15(23)17(27-16)20-8-7-13(21)19-18(20)24/h3-8,12,14-17,22-23H,9H2,1-2H3,(H,19,21,24)/t12-,14-,15+,16+,17+/m1/s1
InChIKey VQRMIXPFSNZCTE-ZUOZUFPHSA-N
Mol Weight 442.5 g/mol
Molecular Formula C18H22N2O7S2
Exact Mass 442.086843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ilohe5zakkS
Name 1-[5,6-DIDEOXY-5(S)-METHYLTHIO-6-(PARA-TOLUENSULFONYL)-BETA-D-RIBO-HEXOFURANOSYL]-URACIL
Compound Number 9(5'S)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O7S2
InChI InChI=1S/C18H22N2O7S2/c1-10-3-5-11(6-4-10)29(25,26)9-12(28-2)16-14(22)15(23)17(27-16)20-8-7-13(21)19-18(20)24/h3-8,12,14-17,22-23H,9H2,1-2H3,(H,19,21,24)/t12-,14-,15+,16+,17+/m1/s1
InChIKey VQRMIXPFSNZCTE-ZUOZUFPHSA-N
Literature Reference Author S.F.WNUK,N.K.DALLEY,M.J.ROBINS
Literature Reference Citation CAN.J.CHEM.,69,2104(1991)
Literature Reference DOI 10.1139/v91-303
Molecular Weight 442.502 g/mol
Solvent Unknown
Source File Reference UWVP5476