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(E)-1,2,3,4-Tetra(3,5-dimethylphenyl)-2-butene-1,4-dione
SpectraBase Compound ID Dbx9CWLxh4Y
InChI InChI=1S/C36H36O2/c1-21-9-22(2)14-29(13-21)33(35(37)31-17-25(5)11-26(6)18-31)34(30-15-23(3)10-24(4)16-30)36(38)32-19-27(7)12-28(8)20-32/h9-20H,1-8H3/b34-33+
InChIKey YGCRSSQXGDWFSJ-JEIPZWNWSA-N
Mol Weight 500.7 g/mol
Molecular Formula C36H36O2
Exact Mass 500.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iTOV83j4tn
Name (E)-1,2,3,4-Tetra(3,5-dimethylphenyl)-2-butene-1,4-dione
Alternate Name(s) (2E)-1,2,3,4-tetrakis(3,5-dimethylphenyl)-2-butene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36O2
InChI InChI=1S/C36H36O2/c1-21-9-22(2)14-29(13-21)33(35(37)31-17-25(5)11-26(6)18-31)34(30-15-23(3)10-24(4)16-30)36(38)32-19-27(7)12-28(8)20-32/h9-20H,1-8H3/b34-33+
InChIKey YGCRSSQXGDWFSJ-JEIPZWNWSA-N
Molecular Weight 500.682 g/mol
SMILES C(\C(=C\(C(=O)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)(=O)c1cc(cc(c1)C)C
SPLASH splash10-001i-0901030000-2e6a7f5161571a3e6177
Source of Spectrum O1-31-1367-2
Wiley ID 818889