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1-[2-O-ACETYL-4-C-(BENZOYLOXYMETHYL)-BETA-D-XYLOFURANOSYL]-THYMINE
SpectraBase Compound ID EmENqnSp2PR
InChI InChI=1S/C20H22N2O8/c1-12-8-22(11-21-17(12)26)18-15(29-13(2)24)16(25)20(9-23,30-18)10-28-19(27)14-6-4-3-5-7-14/h3-8,11,15-16,18,23,25H,9-10H2,1-2H3/t15-,16-,18-,20+/m0/s1
InChIKey PHUZALWXNGCZEI-ZTTFOMCMSA-N
Mol Weight 418.4 g/mol
Molecular Formula C20H22N2O8
Exact Mass 418.137616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyEodSFLnOF
Name 1-[2-O-ACETYL-4-C-(BENZOYLOXYMETHYL)-BETA-D-XYLOFURANOSYL]-THYMINE
Compound Number 49A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O8
InChI InChI=1S/C20H22N2O8/c1-12-8-22(11-21-17(12)26)18-15(29-13(2)24)16(25)20(9-23,30-18)10-28-19(27)14-6-4-3-5-7-14/h3-8,11,15-16,18,23,25H,9-10H2,1-2H3/t15-,16-,18-,20+/m0/s1
InChIKey PHUZALWXNGCZEI-ZTTFOMCMSA-N
Literature Reference Author B.R.BABU,RAUNAK,N.E.POOPEIKO,M.JUHL,A.D.BOND,V.S.PARMAR,J.WE NGEL
Literature Reference Citation EUR.J.ORG.CHEM.,2297(2005)
Literature Reference DOI 10.1002/ejoc.200500023
Molecular Weight 418.403 g/mol
Sample ID 39334
Solvent CDCl3