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Benzonitrile, 4,4',4'',4'''-methanetetrayltetrakis-
SpectraBase Compound ID K2KoQbNO24g
InChI InChI=1S/C29H16N4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-16H
InChIKey HXZGMLINTVQVPX-UHFFFAOYSA-N
Mol Weight 420.48 g/mol
Molecular Formula C29H16N4
Exact Mass 420.137497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEVC38vJ3YR
Name Benzonitrile, 4,4',4'',4'''-methanetetrayltetrakis-
Alternate Name(s) 4-[tris(4-cyanophenyl)methyl]benzenecarbonitrile 4-[tris(4-cyanophenyl)methyl]benzonitrile
CAS Registry Number 121706-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H16N4
InChI InChI=1S/C29H16N4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-16H
InChIKey HXZGMLINTVQVPX-UHFFFAOYSA-N
Molecular Weight 420.475 g/mol
SMILES C(c1ccc(C#N)cc1)(c1ccc(C#N)cc1)(c1ccc(C#N)cc1)c1ccc(C#N)cc1
SPLASH splash10-01b9-0049800000-f3b8a87a06ec793d7f09
Source of Spectrum C-112-1548-0
Wiley ID 1378198