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4,4'-Dinitro-3,3",5,5"-tetraphenyl-1,1' : 4',1"-terphenyl
SpectraBase Compound ID BlASRjgoFWG
InChI InChI=1S/C42H28N2O4/c45-43(46)41-37(31-13-5-1-6-14-31)25-35(26-38(41)32-15-7-2-8-16-32)29-21-23-30(24-22-29)36-27-39(33-17-9-3-10-18-33)42(44(47)48)40(28-36)34-19-11-4-12-20-34/h1-28H
InChIKey BCTYAAJXSDBEHY-UHFFFAOYSA-N
Mol Weight 624.7 g/mol
Molecular Formula C42H28N2O4
Exact Mass 624.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAgulCkfetX
Name 4,4'-Dinitro-3,3",5,5"-tetraphenyl-1,1' : 4',1"-terphenyl
Alternate Name(s) 4,4'-Dinitro-3,3'',5,5''-tetraphenyl-1,1' : 4',1''-terphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H28N2O4
InChI InChI=1S/C42H28N2O4/c45-43(46)41-37(31-13-5-1-6-14-31)25-35(26-38(41)32-15-7-2-8-16-32)29-21-23-30(24-22-29)36-27-39(33-17-9-3-10-18-33)42(44(47)48)40(28-36)34-19-11-4-12-20-34/h1-28H
InChIKey BCTYAAJXSDBEHY-UHFFFAOYSA-N
Molecular Weight 624.696 g/mol
SMILES c1(N(=O)=O)c(cc(cc1-c1ccccc1)-c1ccc(-c2cc(-c3ccccc3)c(c(c2)-c2ccccc2)N(=O)=O)cc1)-c1ccccc1
SPLASH splash10-00fr-0000009000-e5e061fd2da8b0cb38f7
Source of Spectrum H-76-1749-9
Wiley ID 1411807