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2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(2,4-dimethylphenyl)cyclobutylidene]-2-(dimethylamino)acetonitrile
SpectraBase Compound ID KDE8ZxpgUgl
InChI InChI=1S/C28H32N4/c1-17-9-11-21(19(3)13-17)25-26(22-12-10-18(2)14-20(22)4)28(24(16-30)32(7)8)27(25)23(15-29)31(5)6/h9-14,25-26H,1-8H3/t25-,26-/m1/s1
InChIKey QLUZYMKLGKCJJT-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 Bv3evjwsQQm
Name 2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(2,4-dimethylphenyl)cyclobutylidene]-2-(dimethylamino)acetonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.262697046 u
Formula C28H32N4
InChI InChI=1S/C28H32N4/c1-17-9-11-21(19(3)13-17)25-26(22-12-10-18(2)14-20(22)4)28(24(16-30)32(7)8)27(25)23(15-29)31(5)6/h9-14,25-26H,1-8H3/t25-,26-/m1/s1
InChIKey QLUZYMKLGKCJJT-CLJLJLNGSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502503
Molecular Weight 424.592 g/mol
Quality 70
Reported Formula C28H32N4
SMILES [C@@]1([C@@](C=2C(C)=CC(C)=CC2)(C(=C(N(C)C)C#N)C1=C(C#N)N(C)C)[H])(C=1C=CC(C)=CC1C)[H]
SPLASH splash10-00xr-0753900000-c74ceedcfa41d2c616b0
Source of Spectrum QE-21-SM6-2g (DOI: 10.1002/chem.201502503)
Thin-Layer Chromatography 0.39 (PE/EA, 5:1)
Wiley ID 1907174