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1-(2'-BENZOYL-3'-BENZOYLOXYMETHYL-6'-BROMO-3',5',6'-TRIDEOXY-BETA-ALLO-FURANOSYL)-URACIL
SpectraBase Compound ID JD3iHcEua7p
InChI InChI=1S/C25H23BrN2O7/c26-13-11-19-18(15-33-23(30)16-7-3-1-4-8-16)21(35-24(31)17-9-5-2-6-10-17)22(34-19)28-14-12-20(29)27-25(28)32/h1-10,12,14,18-19,21-22H,11,13,15H2,(H,27,29,32)/t18-,19-,21-,22-/m0/s1
InChIKey PHGBIVAMOUMQMV-LGGPRVQUSA-N
Mol Weight 543.37 g/mol
Molecular Formula C25H23BrN2O7
Exact Mass 542.068864 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHh7X0GmcTw
Name 1-(2'-BENZOYL-3'-BENZOYLOXYMETHYL-6'-BROMO-3',5',6'-TRIDEOXY-BETA-ALLO-FURANOSYL)-URACIL
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23BrN2O7
InChI InChI=1S/C25H23BrN2O7/c26-13-11-19-18(15-33-23(30)16-7-3-1-4-8-16)21(35-24(31)17-9-5-2-6-10-17)22(34-19)28-14-12-20(29)27-25(28)32/h1-10,12,14,18-19,21-22H,11,13,15H2,(H,27,29,32)/t18-,19-,21-,22-/m0/s1
InChIKey PHGBIVAMOUMQMV-LGGPRVQUSA-N
Literature Reference Author C.RICHERT,A.L.ROUGHTON,S.A.BENNER
Literature Reference Citation J.AM.CHEM.SOC.,118,4518(1996)
Literature Reference DOI 10.1021/ja952322m
Molecular Weight 543.371 g/mol
Sample ID 57094
Solvent CDCl3