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2-(Methyl-2'-isoindole-1',3'-dione)-3-[2''-(2'''-isoindole-1''',3'''-dione)ethyl]-indole
SpectraBase Compound ID Ehuuu8MZ0hy
InChI InChI=1S/C27H19N3O4/c31-24-18-8-1-2-9-19(18)25(32)29(24)14-13-17-16-7-5-6-12-22(16)28-23(17)15-30-26(33)20-10-3-4-11-21(20)27(30)34/h1-12,28H,13-15H2
InChIKey WMEAPSMBFPHBAY-UHFFFAOYSA-N
Mol Weight 449.47 g/mol
Molecular Formula C27H19N3O4
Exact Mass 449.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ic8XFibGaId
Name 2-(Methyl-2'-isoindole-1',3'-dione)-3-[2''-(2'''-isoindole-1''',3'''-dione)ethyl]-indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.137556100 u
Formula C27H19N3O4
InChI InChI=1S/C27H19N3O4/c31-24-18-8-1-2-9-19(18)25(32)29(24)14-13-17-16-7-5-6-12-22(16)28-23(17)15-30-26(33)20-10-3-4-11-21(20)27(30)34/h1-12,28H,13-15H2
InChIKey WMEAPSMBFPHBAY-UHFFFAOYSA-N
Molecular Weight 449.466 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)CC1=C(C2=CC=CC=C2N1)CCN1C(C=2C=CC=CC2C1=O)=O)=O