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(1R,3R,4R,7R)-7-BENZYLOXY-1-(HYDROXYMETHYL)-3-(THYMIN-1-YL)-5-(TRIFLUOROACETYL)-2-OXA-5-AZABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID 42EyjGTIzOE
InChI InChI=1S/C20H20F3N3O5/c1-12-7-25(11-24-16(12)28)17-14-15(30-8-13-5-3-2-4-6-13)19(10-27,31-17)9-26(14)18(29)20(21,22)23/h2-7,11,14-15,17,27H,8-10H2,1H3/t14-,15-,17-,19-/m1/s1
InChIKey OPBAKIHKPIKGLC-FXRXJOCMSA-N
Mol Weight 439.39 g/mol
Molecular Formula C20H20F3N3O5
Exact Mass 439.135505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JVVTmhjcFy
Name (1R,3R,4R,7R)-7-BENZYLOXY-1-(HYDROXYMETHYL)-3-(THYMIN-1-YL)-5-(TRIFLUOROACETYL)-2-OXA-5-AZABICYCLO-[2.2.1]-HEPTANE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20F3N3O5
InChI InChI=1S/C20H20F3N3O5/c1-12-7-25(11-24-16(12)28)17-14-15(30-8-13-5-3-2-4-6-13)19(10-27,31-17)9-26(14)18(29)20(21,22)23/h2-7,11,14-15,17,27H,8-10H2,1H3/t14-,15-,17-,19-/m1/s1
InChIKey OPBAKIHKPIKGLC-FXRXJOCMSA-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 439.391 g/mol
Sample ID 39318
Solvent CDCl3