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2-(1,2-diphenylbut-3-enyl)-2-[(E)-3-phenylprop-2-enyl]propanedinitrile
SpectraBase Compound ID 8qtLYDNpVVW
InChI InChI=1S/C28H24N2/c1-2-26(24-16-8-4-9-17-24)27(25-18-10-5-11-19-25)28(21-29,22-30)20-12-15-23-13-6-3-7-14-23/h2-19,26-27H,1,20H2/b15-12+
InChIKey DVQVEQOLWLGJBE-NTCAYCPXSA-N
Mol Weight 388.51 g/mol
Molecular Formula C28H24N2
Exact Mass 388.193949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OUek3sSHjE
Name 2-(1,2-Diphenylbut-3-enyl)-2-[(E)-3-phenylprop-2-enyl]propanedinitrile
Comments Computed using HOSE algorithm
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Exact Mass 388.193948781 u
Formula C28H24N2
InChI InChI=1S/C28H24N2/c1-2-26(24-16-8-4-9-17-24)27(25-18-10-5-11-19-25)28(21-29,22-30)20-12-15-23-13-6-3-7-14-23/h2-19,26-27H,1,20H2/b15-12+
InChIKey DVQVEQOLWLGJBE-NTCAYCPXSA-N
Molecular Weight 388.514 g/mol
SMILES C(\C=C\C=1C=CC=CC1)C(C(C(C=C)C=1C=CC=CC1)C=1C=CC=CC1)(C#N)C#N