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1,2,4-Tris(4-tert-butylphenyl)anthraquinone
SpectraBase Compound ID IXf10zJ5Ks9
InChI InChI=1S/C44H44O2/c1-42(2,3)30-20-14-27(15-21-30)35-26-36(28-16-22-31(23-17-28)43(4,5)6)38-39(41(46)34-13-11-10-12-33(34)40(38)45)37(35)29-18-24-32(25-19-29)44(7,8)9/h10-26H,1-9H3
InChIKey KNXQRJVZIQIVMO-UHFFFAOYSA-N
Mol Weight 604.8 g/mol
Molecular Formula C44H44O2
Exact Mass 604.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2XKfytg8ue
Name 1,2,4-Tris(4-tert-butylphenyl)anthraquinone
Alternate Name(s) 1,2,4-tris(4-tert-butylphenyl)anthracene-9,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H44O2
InChI InChI=1S/C44H44O2/c1-42(2,3)30-20-14-27(15-21-30)35-26-36(28-16-22-31(23-17-28)43(4,5)6)38-39(41(46)34-13-11-10-12-33(34)40(38)45)37(35)29-18-24-32(25-19-29)44(7,8)9/h10-26H,1-9H3
InChIKey KNXQRJVZIQIVMO-UHFFFAOYSA-N
Molecular Weight 604.834 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(-c2ccc(C(C)(C)C)cc2)cc(c1-c1ccc(C(C)(C)C)cc1)-c1ccc(C(C)(C)C)cc1
SPLASH splash10-0a4i-9000064000-853ce0d24c4303fb8114
Source of Spectrum U1-2011-2084-9c
Wiley ID 1665529