1-[2,3,5-tri-o-Benzoyl-.beta.-D-ribofuranosyl]pyrrole-2-carbonitrile

SpectraBase Compound ID	5h1XxUkvd1D
InChI	InChI=1S/C31H24N2O7/c32-19-24-17-10-18-33(24)28-27(40-31(36)23-15-8-3-9-16-23)26(39-30(35)22-13-6-2-7-14-22)25(38-28)20-37-29(34)21-11-4-1-5-12-21/h1-18,25-28H,20H2
InChIKey	AIOJYKBZMRHFOH-UHFFFAOYSA-N Google Search
Mol Weight	536.54 g/mol
Molecular Formula	C31H24N2O7
Exact Mass	536.158351 g/mol

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SpectraBase Spectrum ID	58VKVX5kAWW
Name	1-[2,3,5-tri-o-Benzoyl-.beta.-D-ribofuranosyl]pyrrole-2-carbonitrile
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	536.158351114 u
Formula	C31H24N2O7
InChI	InChI=1S/C31H24N2O7/c32-19-24-17-10-18-33(24)28-27(40-31(36)23-15-8-3-9-16-23)26(39-30(35)22-13-6-2-7-14-22)25(38-28)20-37-29(34)21-11-4-1-5-12-21/h1-18,25-28H,20H2
InChIKey	AIOJYKBZMRHFOH-UHFFFAOYSA-N
Molecular Weight	536.540 g/mol
SMILES	C1(C(C(COC(C2=CC=CC=C2)=O)OC1N1C=CC=C1C#N)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1