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2-[(3S,4S)-2-[Cyano(diethylamino)methylene]-3,4-diphenyl-cyclobutylidene]-2-(diethylamino)acetonitrile
SpectraBase Compound ID EvZlrFpeDp4
InChI InChI=1S/C28H32N4/c1-5-31(6-2)23(19-29)27-25(21-15-11-9-12-16-21)26(22-17-13-10-14-18-22)28(27)24(20-30)32(7-3)8-4/h9-18,25-26H,5-8H2,1-4H3/t25-,26-/m1/s1
InChIKey SOOCBOHARUMQOC-CLJLJLNGSA-N
Mol Weight 424.6 g/mol
Molecular Formula C28H32N4
Exact Mass 424.262697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67b2jurcVvQ
Name 2-[(3S,4S)-2-[Cyano(diethylamino)methylene]-3,4-diphenyl-cyclobutylidene]-2-(diethylamino)acetonitrile
Appearance Yellow solid
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Exact Mass 424.262697046 u
Formula C28H32N4
InChI InChI=1S/C28H32N4/c1-5-31(6-2)23(19-29)27-25(21-15-11-9-12-16-21)26(22-17-13-10-14-18-22)28(27)24(20-30)32(7-3)8-4/h9-18,25-26H,5-8H2,1-4H3/t25-,26-/m1/s1
InChIKey SOOCBOHARUMQOC-CLJLJLNGSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502503
Molecular Weight 424.592 g/mol
Quality 174
Reported Formula C28H32N4
SMILES [C@]1(C(C([C@@]1(C1=CC=CC=C1)[H])=C(C#N)N(CC)CC)=C(N(CC)CC)C#N)(C1=CC=CC=C1)[H]
SPLASH splash10-05fu-4375900000-d6d3ee21636abecf11f6
Source of Spectrum QE-21-SM9-2l (DOI: 10.1002/chem.201502503)
Thin-Layer Chromatography 0.50 (PE/EA, 5:1)
Wiley ID 1907179