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N(1),N(2)-bis[p-Methylphenyl]isoindigo
SpectraBase Compound ID GAxHPxF17mZ
InChI InChI=1S/C30H22N2O2/c1-19-11-15-21(16-12-19)31-27(23-7-3-5-9-25(23)29(31)33)28-24-8-4-6-10-26(24)30(34)32(28)22-17-13-20(2)14-18-22/h3-18H,1-2H3/b28-27-
InChIKey VVJMCILVCZDBBF-DQSJHHFOSA-N
Mol Weight 442.52 g/mol
Molecular Formula C30H22N2O2
Exact Mass 442.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eqQyMog5rV
Name N(1),N(2)-bis[p-Methylphenyl]isoindigo
Alternate Name(s) 2-(4-Methylphenyl)-3-[(1Z)-2-(4-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindol-1-ylidene]-2,3-dihydro-1H-isoindol-1-one
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Formula C30H22N2O2
InChI InChI=1S/C30H22N2O2/c1-19-11-15-21(16-12-19)31-27(23-7-3-5-9-25(23)29(31)33)28-24-8-4-6-10-26(24)30(34)32(28)22-17-13-20(2)14-18-22/h3-18H,1-2H3/b28-27-
InChIKey VVJMCILVCZDBBF-DQSJHHFOSA-N
Molecular Weight 442.518 g/mol
SMILES C1(N(\C(=C/2N(C(=O)c3c2cccc3)c2ccc(cc2)C)c2c1cccc2)c1ccc(cc1)C)=O
SPLASH splash10-0006-3015900000-b30f410526963993c376
Source of Spectrum AC-1991-548-11
Wiley ID 747902