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1-[2,3,5-tri-o-Benzoyl-.beta.-D-ribofuranosyl]-1,2,4-triazole-3(2H)-one

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1-[2,3,5-tri-o-Benzoyl-.beta.-D-ribofuranosyl]-1,2,4-triazole-3(2H)-one
SpectraBase Compound ID ByOUoQwezVO
InChI InChI=1S/C28H23N3O8/c32-25(18-10-4-1-5-11-18)36-16-21-22(38-26(33)19-12-6-2-7-13-19)23(24(37-21)31-17-29-28(35)30-31)39-27(34)20-14-8-3-9-15-20/h1-15,17,21-24H,16H2,(H,30,35)
InChIKey CXPVLXPTKRUQBY-UHFFFAOYSA-N
Mol Weight 529.51 g/mol
Molecular Formula C28H23N3O8
Exact Mass 529.148515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1gmq2RgXYKI
Name 1-[2,3,5-tri-o-Benzoyl-.beta.-D-ribofuranosyl]-1,2,4-triazole-3(2H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.148514705 u
Formula C28H23N3O8
InChI InChI=1S/C28H23N3O8/c32-25(18-10-4-1-5-11-18)36-16-21-22(38-26(33)19-12-6-2-7-13-19)23(24(37-21)31-17-29-28(35)30-31)39-27(34)20-14-8-3-9-15-20/h1-15,17,21-24H,16H2,(H,30,35)
InChIKey CXPVLXPTKRUQBY-UHFFFAOYSA-N
Molecular Weight 529.505 g/mol
SMILES C1(C(C(COC(C2=CC=CC=C2)=O)OC1N1NC(N=C1)=O)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1