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2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(3-pyrrol-1-ylphenyl)cyclobutylidene]-2-(dimethylamino)acetonitrile
SpectraBase Compound ID Lpiidl4sCAw
InChI InChI=1S/C32H30N6/c1-35(2)27(21-33)31-29(23-11-9-13-25(19-23)37-15-5-6-16-37)30(32(31)28(22-34)36(3)4)24-12-10-14-26(20-24)38-17-7-8-18-38/h5-20,29-30H,1-4H3/t29-,30-/m1/s1
InChIKey BXIYULDUHBIBMS-LOYHVIPDSA-N
Mol Weight 498.6 g/mol
Molecular Formula C32H30N6
Exact Mass 498.253195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EjbzCFgC3h
Name 2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(3-pyrrol-1-ylphenyl)cyclobutylidene]-2-(dimethylamino)acetonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30N6
InChI InChI=1S/C32H30N6/c1-35(2)27(21-33)31-29(23-11-9-13-25(19-23)37-15-5-6-16-37)30(32(31)28(22-34)36(3)4)24-12-10-14-26(20-24)38-17-7-8-18-38/h5-20,29-30H,1-4H3/t29-,30-/m1/s1
InChIKey BXIYULDUHBIBMS-LOYHVIPDSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502503
Molecular Weight 498.634 g/mol
Reported Formula C32H30N6
SMILES [C@]1(C(C([C@@]1(C1=CC(=CC=C1)N1C=CC=C1)[H])=C(C#N)N(C)C)=C(N(C)C)C#N)(C1=CC=CC(=C1)N1C=CC=C1)[H]
SPLASH splash10-0002-0001900000-92614b4119c21209581a
Source of Spectrum QE-21-SM8-2j (DOI: 10.1002/chem.201502503)
Thin-Layer Chromatography 0.51 (PE/EA, 3:1)
Wiley ID 1907177