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

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pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, 2,6-bis[2-(3,4-dimethylphenoxy)ethyl]-
SpectraBase Compound ID BdO5SYW0d7i
InChI InChI=1S/C30H28N2O6/c1-17-5-7-21(13-19(17)3)37-11-9-31-27(33)23-15-25-26(16-24(23)28(31)34)30(36)32(29(25)35)10-12-38-22-8-6-18(2)20(4)14-22/h5-8,13-16H,9-12H2,1-4H3
InChIKey NALDJHASCJVWNT-UHFFFAOYSA-N
Mol Weight 512.56 g/mol
Molecular Formula C30H28N2O6
Exact Mass 512.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9T4kwZsIddF
Name Pyrrolo[3,4-F]isoindole-1,3,5,7(2H,6H)-tetrone, 2,6-bis[2-(3,4-dimethylphenoxy)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.194736624 u
Formula C30H28N2O6
InChI InChI=1S/C30H28N2O6/c1-17-5-7-21(13-19(17)3)37-11-9-31-27(33)23-15-25-26(16-24(23)28(31)34)30(36)32(29(25)35)10-12-38-22-8-6-18(2)20(4)14-22/h5-8,13-16H,9-12H2,1-4H3
InChIKey NALDJHASCJVWNT-UHFFFAOYSA-N
Molecular Weight 512.562 g/mol
SMILES CC=1C=CC(=CC1C)OCCN1C(C2=CC=3C(=O)N(C(C3C=C2C1=O)=O)CCOC1=CC(C)=C(C=C1)C)=O