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(N1,N3)-bis-.beta.,D-2',3',5'-tri-o-Benzoylribofuranosyl imidazolinum
SpectraBase Compound ID FbNvhJg2qQi
InChI InChI=1S/C55H45N2O14/c58-50(36-19-7-1-8-20-36)64-33-42-44(68-52(60)38-23-11-3-12-24-38)46(70-54(62)40-27-15-5-16-28-40)48(66-42)56-31-32-57(35-56)49-47(71-55(63)41-29-17-6-18-30-41)45(69-53(61)39-25-13-4-14-26-39)43(67-49)34-65-51(59)37-21-9-2-10-22-37/h1-32,35,42-49H,33-34H2/q+1/t42-,43+,44+,45-,46+,47-,48?,49?
InChIKey UQKLAJYQAHHXCA-BGACKXAWSA-N
Mol Weight 958.0 g/mol
Molecular Formula C55H45N2O14
Exact Mass 957.287079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ri3wxDQbQz
Name (N1,N3)-Bis-.beta.,D-2',3',5'-tri-O-benzoylribofuranosyl imidazolinum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H45N2O14
InChI InChI=1S/C55H45N2O14/c58-50(36-19-7-1-8-20-36)64-33-42-44(68-52(60)38-23-11-3-12-24-38)46(70-54(62)40-27-15-5-16-28-40)48(66-42)56-31-32-57(35-56)49-47(71-55(63)41-29-17-6-18-30-41)45(69-53(61)39-25-13-4-14-26-39)43(67-49)34-65-51(59)37-21-9-2-10-22-37/h1-32,35,42-49H,33-34H2/q+1/t42-,43+,44+,45-,46+,47-,48?,49?
InChIKey UQKLAJYQAHHXCA-BGACKXAWSA-N
Molecular Weight 957.965 g/mol
SMILES C1([n+]2c[n](C3[C@@]([C@](OC(=O)c4ccccc4)([C@@](O3)(COC(=O)c3ccccc3)[H])[H])(OC(=O)c3ccccc3)[H])cc2)[C@]([C@@](OC(=O)c2ccccc2)([C@](O1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-0920200006-a83b9091fca4c95dc4e4
Source of Spectrum QC-7-3460-3
Wiley ID 869570