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Acridine, 9,9'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[2-(1,1-dimethylethyl)-
SpectraBase Compound ID DRGeyFcrbvL
InChI InChI=1S/C50H48N2O2/c1-49(2,3)35-21-27-45-41(31-35)47(39-13-7-9-15-43(39)51-45)33-17-23-37(24-18-33)53-29-11-12-30-54-38-25-19-34(20-26-38)48-40-14-8-10-16-44(40)52-46-28-22-36(32-42(46)48)50(4,5)6/h7-10,13-28,31-32H,11-12,29-30H2,1-6H3
InChIKey KYQATRVHUBJQEH-UHFFFAOYSA-N
Mol Weight 708.9 g/mol
Molecular Formula C50H48N2O2
Exact Mass 708.371579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKVKTg1dGhb
Name Acridine, 9,9'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[2-(1,1-dimethylethyl)-
CAS Registry Number 111793-81-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H48N2O2
InChI InChI=1S/C50H48N2O2/c1-49(2,3)35-21-27-45-41(31-35)47(39-13-7-9-15-43(39)51-45)33-17-23-37(24-18-33)53-29-11-12-30-54-38-25-19-34(20-26-38)48-40-14-8-10-16-44(40)52-46-28-22-36(32-42(46)48)50(4,5)6/h7-10,13-28,31-32H,11-12,29-30H2,1-6H3
InChIKey KYQATRVHUBJQEH-UHFFFAOYSA-N
Molecular Weight 708.946 g/mol
SMILES c12c(c3ccccc3nc2ccc(c1)C(C)(C)C)-c1ccc(cc1)OCCCCOc1ccc(-c2c3c(ccc(c3)C(C)(C)C)nc3c2cccc3)cc1
SPLASH splash10-0a4i-0009000100-2babb0967e0f2c5f65f6
Source of Spectrum C-111-1379-10
Synonyms 2-tert-butyl-9-(4-{4-[4-(2-tert-butyl-9-acridinyl)phenoxy]butoxy}phenyl)acridine 4,4'-(butylenedioxy)-4,4'-bis(2-tert-butylacridin-9-yl)dibenzene
Wiley ID 1415309