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3,3''-METHYLENEBIS-[2',3'-ANHYDRO-5'-O-(METHYLSULFONYL)-2',3'-SECOURIDINE;3,3''-METHYLENEBIS-[1-(2R,6S)-6-[(METHYLSULFONYLOXY)-METHYL]-1,4-DIOXAN-2-YL)-URACIL]
SpectraBase Compound ID 2i1idxCNYeq
InChI InChI=1S/C21H28N4O14S2/c1-40(30,31)36-9-14-7-34-11-18(38-14)22-5-3-16(26)24(20(22)28)13-25-17(27)4-6-23(21(25)29)19-12-35-8-15(39-19)10-37-41(2,32)33/h3-6,14-15,18-19H,7-13H2,1-2H3/t14-,15+,18+,19-
InChIKey PEJNQINTZCJSOU-DJDHSFSDSA-N
Mol Weight 624.59 g/mol
Molecular Formula C21H28N4O14S2
Exact Mass 624.104344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nT22rggNbm
Name 3,3''-METHYLENEBIS-[2',3'-ANHYDRO-5'-O-(METHYLSULFONYL)-2',3'-SECOURIDINE;3,3''-METHYLENEBIS-[1-(2R,6S)-6-[(METHYLSULFONYLOXY)-METHYL]-1,4-DIOXAN-2-YL)-URACIL]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N4O14S2
InChI InChI=1S/C21H28N4O14S2/c1-40(30,31)36-9-14-7-34-11-18(38-14)22-5-3-16(26)24(20(22)28)13-25-17(27)4-6-23(21(25)29)19-12-35-8-15(39-19)10-37-41(2,32)33/h3-6,14-15,18-19H,7-13H2,1-2H3/t14-,15+,18+,19-
InChIKey PEJNQINTZCJSOU-DJDHSFSDSA-N
Literature Reference Author V.SKARIC,V.CAPLAR,D.SKARIC,M.ZINIC
Literature Reference Citation HELV.CHIM.ACTA,75,493(1992)
Molecular Weight 624.592 g/mol
Solvent ACETONE-D6
Source File Reference UWCS8023