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(1R,3R,4R,7R)-1-(BENZOYLOXYMETHYL)-7-BENZYLOXY-3-(THYMIN-1-YL)-2-OXA-5-AZABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID ADOrZgn6mtL
InChI InChI=1S/C25H25N3O5/c1-17-12-28(16-27-22(17)29)23-20-21(31-13-18-8-4-2-5-9-18)25(33-23,14-26-20)15-32-24(30)19-10-6-3-7-11-19/h2-12,16,20-21,23,26H,13-15H2,1H3/t20-,21-,23-,25-/m1/s1
InChIKey PXFCIZBKMCCTOC-AFFJLAOCSA-N
Mol Weight 447.49 g/mol
Molecular Formula C25H25N3O5
Exact Mass 447.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HB4kmv9qes
Name (1R,3R,4R,7R)-1-(BENZOYLOXYMETHYL)-7-BENZYLOXY-3-(THYMIN-1-YL)-2-OXA-5-AZABICYCLO-[2.2.1]-HEPTANE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25N3O5
InChI InChI=1S/C25H25N3O5/c1-17-12-28(16-27-22(17)29)23-20-21(31-13-18-8-4-2-5-9-18)25(33-23,14-26-20)15-32-24(30)19-10-6-3-7-11-19/h2-12,16,20-21,23,26H,13-15H2,1H3/t20-,21-,23-,25-/m1/s1
InChIKey PXFCIZBKMCCTOC-AFFJLAOCSA-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 447.491 g/mol
Sample ID 39316
Solvent CDCl3