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5-(4-aminophenoxy)-2-(2,4-dimethylphenyl)-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 2 NMR

5-(4-aminophenoxy)-2-(2,4-dimethylphenyl)-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 99Wx4AYBACC
InChI InChI=1S/C22H18N2O3/c1-13-3-10-20(14(2)11-13)24-21(25)18-9-8-17(12-19(18)22(24)26)27-16-6-4-15(23)5-7-16/h3-12H,23H2,1-2H3
InChIKey URWZGTPVPWZHDE-UHFFFAOYSA-N
Mol Weight 358.4 g/mol
Molecular Formula C22H18N2O3
Exact Mass 358.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMyRaZUIftq
Name 5-(4-Aminophenoxy)-2-(2,4-dimethylphenyl)-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.131742445 u
Formula C22H18N2O3
InChI InChI=1S/C22H18N2O3/c1-13-3-10-20(14(2)11-13)24-21(25)18-9-8-17(12-19(18)22(24)26)27-16-6-4-15(23)5-7-16/h3-12H,23H2,1-2H3
InChIKey URWZGTPVPWZHDE-UHFFFAOYSA-N
Molecular Weight 358.397 g/mol
SMILES NC1=CC=C(OC2=CC=3C(N(C(C3C=C2)=O)C=2C(=CC(=CC2)C)C)=O)C=C1