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1,4-Bis(4-tert-butylphenyl)-2-(4-chlorophenyl)-anthraquinone
SpectraBase Compound ID BvIqI1SwjcT
InChI InChI=1S/C40H35ClO2/c1-39(2,3)27-17-11-24(12-18-27)33-23-32(25-15-21-29(41)22-16-25)34(26-13-19-28(20-14-26)40(4,5)6)36-35(33)37(42)30-9-7-8-10-31(30)38(36)43/h7-23H,1-6H3
InChIKey SUHXHKWVAWZFDX-UHFFFAOYSA-N
Mol Weight 583.2 g/mol
Molecular Formula C40H35ClO2
Exact Mass 582.232558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hIwOK4jAZk
Name 1,4-Bis(4-tert-butylphenyl)-2-(4-chlorophenyl)-anthraquinone
Alternate Name(s) 1,4-bis(4-tert-butylphenyl)-2-(4-chlorophenyl)anthracene-9,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H35ClO2
InChI InChI=1S/C40H35ClO2/c1-39(2,3)27-17-11-24(12-18-27)33-23-32(25-15-21-29(41)22-16-25)34(26-13-19-28(20-14-26)40(4,5)6)36-35(33)37(42)30-9-7-8-10-31(30)38(36)43/h7-23H,1-6H3
InChIKey SUHXHKWVAWZFDX-UHFFFAOYSA-N
Molecular Weight 583.171 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(cc1)Cl
SPLASH splash10-00or-0000090000-7a64ecdebb14b04fb253
Source of Spectrum U1-2011-2086-12a
Wiley ID 1665514