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Phenanthro[9,10-b]triphenylene, 9,18-bis(4-chlorophenyl)-, (.+-.)-

View entire compound with spectra: 1 MS (GC)

Phenanthro[9,10-b]triphenylene, 9,18-bis(4-chlorophenyl)-, (.+-.)-
SpectraBase Compound ID Kt1kzrt7aSN
InChI InChI=1S/C42H24Cl2/c43-27-21-17-25(18-22-27)37-39-33-13-5-1-9-29(33)30-10-2-6-14-34(30)40(39)38(26-19-23-28(44)24-20-26)42-36-16-8-4-12-32(36)31-11-3-7-15-35(31)41(37)42/h1-24H
InChIKey CNDJYFPUYQXWHU-UHFFFAOYSA-N
Mol Weight 599.6 g/mol
Molecular Formula C42H24Cl2
Exact Mass 598.125506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 633cAach52x
Name Phenanthro[9,10-b]triphenylene, 9,18-bis(4-chlorophenyl)-, (.+-.)-
Alternate Name(s) 9,18-bis(4-chlorophenyl)phenanthro[9,10-b]triphenylene 9,18-bis(4-chlorophenyl)tetrabenz[a,c,H,j]anthracine
CAS Registry Number 108868-43-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H24Cl2
InChI InChI=1S/C42H24Cl2/c43-27-21-17-25(18-22-27)37-39-33-13-5-1-9-29(33)30-10-2-6-14-34(30)40(39)38(26-19-23-28(44)24-20-26)42-36-16-8-4-12-32(36)31-11-3-7-15-35(31)41(37)42/h1-24H
InChIKey CNDJYFPUYQXWHU-UHFFFAOYSA-N
Molecular Weight 599.560 g/mol
SMILES c12c(c(-c3ccc(cc3)Cl)c3c(c1-c1ccc(cc1)Cl)c1c(c4ccccc34)cccc1)c1ccccc1c1c2cccc1
SPLASH splash10-0udj-0000198000-331d9f558231f6b0e25a
Source of Spectrum C-109-4663-7
Wiley ID 1410026