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Benzo[b]triphenylene, 11-methyl-9,14-bis(4-nitrophenyl)-
SpectraBase Compound ID 2wRw9NUW88F
InChI InChI=1S/C35H22N2O4/c1-21-10-19-30-31(20-21)33(23-13-17-25(18-14-23)37(40)41)35-29-9-5-3-7-27(29)26-6-2-4-8-28(26)34(35)32(30)22-11-15-24(16-12-22)36(38)39/h2-20H,1H3
InChIKey CUBUGVRRQITZSW-UHFFFAOYSA-N
Mol Weight 534.6 g/mol
Molecular Formula C35H22N2O4
Exact Mass 534.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5cvErgUBlM
Name Benzo[b]triphenylene, 11-methyl-9,14-bis(4-nitrophenyl)-
CAS Registry Number 131273-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H22N2O4
InChI InChI=1S/C35H22N2O4/c1-21-10-19-30-31(20-21)33(23-13-17-25(18-14-23)37(40)41)35-29-9-5-3-7-27(29)26-6-2-4-8-28(26)34(35)32(30)22-11-15-24(16-12-22)36(38)39/h2-20H,1H3
InChIKey CUBUGVRRQITZSW-UHFFFAOYSA-N
Molecular Weight 534.571 g/mol
SMILES c12c(c(-c3ccc(N(=O)=O)cc3)c3c(c1-c1ccc(N(=O)=O)cc1)cc(cc3)C)c1ccccc1c1c2cccc1
SPLASH splash10-0f89-0010090000-8b33ac9615ffc03d2a75
Source of Spectrum J-56-693-12
Synonyms 11-Methyl-9,14-bis(4-nitrophenyl)benzo[b]triphenylene 9,14-bis(4-nitrophenyl)-11-methylbenzo[b]triphenylene
Wiley ID 1403890