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N,N-Dibenzyl-4-(1,2,2-tricyanoethenyl)aniline
SpectraBase Compound ID 8fbolDCdoaz
InChI InChI=1S/C25H18N4/c26-15-23(16-27)25(17-28)22-11-13-24(14-12-22)29(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-14H,18-19H2
InChIKey HIZVIVAUXVWVPT-UHFFFAOYSA-N
Mol Weight 374.45 g/mol
Molecular Formula C25H18N4
Exact Mass 374.153147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FII1KwOtHzf
Name N,N-Dibenzyl-4-(1,2,2-tricyanoethenyl)aniline
Comments Computed using HOSE algorithm
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Exact Mass 374.153146596 u
Formula C25H18N4
InChI InChI=1S/C25H18N4/c26-15-23(16-27)25(17-28)22-11-13-24(14-12-22)29(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-14H,18-19H2
InChIKey HIZVIVAUXVWVPT-UHFFFAOYSA-N
Molecular Weight 374.447 g/mol
SMILES C=1(N(CC=2C=CC=CC2)CC=2C=CC=CC2)C=CC(=CC1)C(=C(C#N)C#N)C#N