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4-[4-[1,2,2-tris[4-(4-cyanophenyl)phenyl]ethenyl]phenyl]benzenecarbonitrile
SpectraBase Compound ID 5jwcxqJRNRS
InChI InChI=1S/C54H32N4/c55-33-37-1-9-41(10-2-37)45-17-25-49(26-18-45)53(50-27-19-46(20-28-50)42-11-3-38(34-56)4-12-42)54(51-29-21-47(22-30-51)43-13-5-39(35-57)6-14-43)52-31-23-48(24-32-52)44-15-7-40(36-58)8-16-44/h1-32H
InChIKey SEHKOMFGOOBKEF-UHFFFAOYSA-N
Mol Weight 736.9 g/mol
Molecular Formula C54H32N4
Exact Mass 736.262697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILyxtzrQRjq
Name 4-[4-[1,2,2-tris[4-(4-cyanophenyl)phenyl]ethenyl]phenyl]benzenecarbonitrile
Alternate Name(s) 4-[4-[1,2,2-tris[4-(4-cyanophenyl)phenyl]ethenyl]phenyl]benzonitrile 4-[4-[1,2,2-tris[4-(4-cyanophenyl)phenyl]vinyl]phenyl]benzonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H32N4
InChI InChI=1S/C54H32N4/c55-33-37-1-9-41(10-2-37)45-17-25-49(26-18-45)53(50-27-19-46(20-28-50)42-11-3-38(34-56)4-12-42)54(51-29-21-47(22-30-51)43-13-5-39(35-57)6-14-43)52-31-23-48(24-32-52)44-15-7-40(36-58)8-16-44/h1-32H
InChIKey SEHKOMFGOOBKEF-UHFFFAOYSA-N
Molecular Weight 736.878 g/mol
SMILES C(=C(c1ccc(cc1)-c1ccc(cc1)C#N)c1ccc(cc1)-c1ccc(cc1)C#N)(c1ccc(cc1)-c1ccc(cc1)C#N)c1ccc(cc1)-c1ccc(cc1)C#N
SPLASH splash10-000i-0000009200-b31c841dee43e148742a
Source of Spectrum K1-2003-2837-13
Wiley ID 1521362