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1,2-Benzenedicarbonitrile, 4,4'-(1,8-anthracenediyl)bis-
SpectraBase Compound ID 4xSUfo3yMVv
InChI InChI=1S/C30H14N4/c31-15-23-9-7-21(12-25(23)17-33)27-5-1-3-19-11-20-4-2-6-28(30(20)14-29(19)27)22-8-10-24(16-32)26(13-22)18-34/h1-14H
InChIKey UGABBPJWHCHUFV-UHFFFAOYSA-N
Mol Weight 430.47 g/mol
Molecular Formula C30H14N4
Exact Mass 430.121846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPH2tLPiSKo
Name 1,2-Benzenedicarbonitrile, 4,4'-(1,8-anthracenediyl)bis-
Alternate Name(s) 1,8-bis(3,4-dicyanophenyl)anthracene 4-[8-(3,4-dicyanophenyl)-1-anthryl]phthalonitrile
CAS Registry Number 122504-53-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H14N4
InChI InChI=1S/C30H14N4/c31-15-23-9-7-21(12-25(23)17-33)27-5-1-3-19-11-20-4-2-6-28(30(20)14-29(19)27)22-8-10-24(16-32)26(13-22)18-34/h1-14H
InChIKey UGABBPJWHCHUFV-UHFFFAOYSA-N
Molecular Weight 430.470 g/mol
SMILES c12cc3c(-c4cc(C#N)c(C#N)cc4)cccc3cc1cccc2-c1cc(C#N)c(C#N)cc1
SPLASH splash10-001i-0001900000-eeeb3b998fbac224dab8
Source of Spectrum I-67-1096-14
Wiley ID 1381847