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1-[2-Deoxy-3,5-di-o-p-toluoyl-.beta.-D-erythro-pentofuranosyl]pyrrole-3-carbonitrile

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1-[2-Deoxy-3,5-di-o-p-toluoyl-.beta.-D-erythro-pentofuranosyl]pyrrole-3-carbonitrile
SpectraBase Compound ID L8WsE3co0dG
InChI InChI=1S/C26H24N2O5/c1-17-3-7-20(8-4-17)25(29)31-16-23-22(33-26(30)21-9-5-18(2)6-10-21)13-24(32-23)28-12-11-19(14-27)15-28/h3-12,15,22-24H,13,16H2,1-2H3
InChIKey GLYXVMLPFFAKIM-UHFFFAOYSA-N
Mol Weight 444.49 g/mol
Molecular Formula C26H24N2O5
Exact Mass 444.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uko4nYPmpx
Name 1-[2-Deoxy-3,5-di-o-p-toluoyl-.beta.-D-erythro-pentofuranosyl]pyrrole-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.168521876 u
Formula C26H24N2O5
InChI InChI=1S/C26H24N2O5/c1-17-3-7-20(8-4-17)25(29)31-16-23-22(33-26(30)21-9-5-18(2)6-10-21)13-24(32-23)28-12-11-19(14-27)15-28/h3-12,15,22-24H,13,16H2,1-2H3
InChIKey GLYXVMLPFFAKIM-UHFFFAOYSA-N
Molecular Weight 444.487 g/mol
SMILES C1(OC(CC1OC(=O)C1=CC=C(C)C=C1)N1C=CC(=C1)C#N)COC(=O)C1=CC=C(C)C=C1