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N-(4-{[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-methylbutanamide
SpectraBase Compound ID IeMxcEmwBSJ
InChI InChI=1S/C25H22N2O5/c1-15(2)13-23(29)26-16-3-9-19(10-4-16)32-20-11-12-21-22(14-20)25(31)27(24(21)30)17-5-7-18(28)8-6-17/h3-12,14-15,28H,13H2,1-2H3,(H,26,29)
InChIKey YPPGHEIHPSWNNE-UHFFFAOYSA-N
Mol Weight 430.46 g/mol
Molecular Formula C25H22N2O5
Exact Mass 430.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7pYHPgnUUt
Name N-(4-{[2-(4-Hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-methylbutanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.152871811 u
Formula C25H22N2O5
InChI InChI=1S/C25H22N2O5/c1-15(2)13-23(29)26-16-3-9-19(10-4-16)32-20-11-12-21-22(14-20)25(31)27(24(21)30)17-5-7-18(28)8-6-17/h3-12,14-15,28H,13H2,1-2H3,(H,26,29)
InChIKey YPPGHEIHPSWNNE-UHFFFAOYSA-N
Molecular Weight 430.460 g/mol
SMILES N(C(=O)CC(C)C)C=1C=CC(OC=2C=C3C(N(C4=CC=C(C=C4)O)C(C3=CC2)=O)=O)=CC1