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2,6-bis[4-(3,4-dimethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,6-bis[4-(3,4-dimethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
SpectraBase Compound ID 1ZgeGiRgESC
InChI InChI=1S/C38H28N2O6/c1-21-5-11-29(17-23(21)3)45-27-13-7-25(8-14-27)39-35(41)31-19-33-34(20-32(31)36(39)42)38(44)40(37(33)43)26-9-15-28(16-10-26)46-30-12-6-22(2)24(4)18-30/h5-20H,1-4H3
InChIKey FDJJLUDQEYLVOE-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C38H28N2O6
Exact Mass 608.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7f0KQRJkhZB
Name 2,6-bis[4-(3,4-Dimethylphenoxy)phenyl]pyrrolo[3,4-F]isoindole-1,3,5,7(2H,6H)-tetrone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.194736624 u
Formula C38H28N2O6
InChI InChI=1S/C38H28N2O6/c1-21-5-11-29(17-23(21)3)45-27-13-7-25(8-14-27)39-35(41)31-19-33-34(20-32(31)36(39)42)38(44)40(37(33)43)26-9-15-28(16-10-26)46-30-12-6-22(2)24(4)18-30/h5-20H,1-4H3
InChIKey FDJJLUDQEYLVOE-UHFFFAOYSA-N
Molecular Weight 608.650 g/mol
SMILES C12=CC3=C(C=C2C(N(C1=O)C=1C=CC(=CC1)OC=1C=C(C(=CC1)C)C)=O)C(N(C3=O)C=1C=CC(=CC1)OC=1C=C(C(=CC1)C)C)=O