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N-(4-cyano-4,6-diphenylhexyl)phthalimide

View entire compound with spectra: 2 NMR, and 1 FTIR

N-(4-cyano-4,6-diphenylhexyl)phthalimide
SpectraBase Compound ID EaNIi0Uk4jZ
InChI InChI=1S/C27H24N2O2/c28-20-27(22-12-5-2-6-13-22,18-16-21-10-3-1-4-11-21)17-9-19-29-25(30)23-14-7-8-15-24(23)26(29)31/h1-8,10-15H,9,16-19H2
InChIKey CINVRVOBWJUYIW-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C27H24N2O2
Exact Mass 408.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aar0te4hLio
Name N-(4-Cyano-4,6-diphenylhexyl)phthalimide
Comments Computed using HOSE algorithm
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Exact Mass 408.183778019 u
Formula C27H24N2O2
InChI InChI=1S/C27H24N2O2/c28-20-27(22-12-5-2-6-13-22,18-16-21-10-3-1-4-11-21)17-9-19-29-25(30)23-14-7-8-15-24(23)26(29)31/h1-8,10-15H,9,16-19H2
InChIKey CINVRVOBWJUYIW-UHFFFAOYSA-N
Molecular Weight 408.501 g/mol
SMILES C=12C(N(C(C1C=CC=C2)=O)CCCC(CCC=1C=CC=CC1)(C=1C=CC=CC1)C#N)=O