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2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(2-naphthyl)cyclobutylidene]-2-(dimethylamino)acetonitrile
SpectraBase Compound ID 6eY33aIaOL2
InChI InChI=1S/C32H28N4/c1-35(2)27(19-33)31-29(25-15-13-21-9-5-7-11-23(21)17-25)30(32(31)28(20-34)36(3)4)26-16-14-22-10-6-8-12-24(22)18-26/h5-18,29-30H,1-4H3/t29-,30-/m1/s1
InChIKey RPTWLSDXQHMLRV-LOYHVIPDSA-N
Mol Weight 468.6 g/mol
Molecular Formula C32H28N4
Exact Mass 468.231397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZtBIBFLugE
Name 2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(2-naphthyl)cyclobutylidene]-2-(dimethylamino)acetonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.231396918 u
Formula C32H28N4
InChI InChI=1S/C32H28N4/c1-35(2)27(19-33)31-29(25-15-13-21-9-5-7-11-23(21)17-25)30(32(31)28(20-34)36(3)4)26-16-14-22-10-6-8-12-24(22)18-26/h5-18,29-30H,1-4H3/t29-,30-/m1/s1
InChIKey RPTWLSDXQHMLRV-LOYHVIPDSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502503
Molecular Weight 468.604 g/mol
Quality 56
Reported Formula C32H28N4
SMILES [C@]1(C(C([C@@]1(C1=CC=C2C(=C1)C=CC=C2)[H])=C(C#N)N(C)C)=C(N(C)C)C#N)(C1=CC2=C(C=C1)C=CC=C2)[H]
SPLASH splash10-014i-0321900000-2d32fecc0d7b2df76c7f
Source of Spectrum QE-21-SM7-2h (DOI: 10.1002/chem.201502503)
Thin-Layer Chromatography 0.45 (PE/EA, 5:1)
Wiley ID 1907175