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1,3-Diphenyl-2,4-bis(4-t-butylphenyl)but-2-en-1,4-dione isomer

View entire compound with spectra: 1 MS (GC)

1,3-Diphenyl-2,4-bis(4-t-butylphenyl)but-2-en-1,4-dione isomer
SpectraBase Compound ID HHXNCuHvpnd
InChI InChI=1S/C36H36O2/c1-35(2,3)29-21-17-26(18-22-29)32(33(37)27-15-11-8-12-16-27)31(25-13-9-7-10-14-25)34(38)28-19-23-30(24-20-28)36(4,5)6/h7-24H,1-6H3/b32-31+
InChIKey NQDOIEZXIQJPDQ-QNEJGDQOSA-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 BJdPF44Xn6f
Name 1,3-Diphenyl-2,4-bis(4-t-butylphenyl)but-2-en-1,4-dione isomer
Alternate Name(s) (2E)-1,3-bis(4-tert-butylphenyl)-2,4-diphenyl-2-butene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36O2
InChI InChI=1S/C36H36O2/c1-35(2,3)29-21-17-26(18-22-29)32(33(37)27-15-11-8-12-16-27)31(25-13-9-7-10-14-25)34(38)28-19-23-30(24-20-28)36(4,5)6/h7-24H,1-6H3/b32-31+
InChIKey NQDOIEZXIQJPDQ-QNEJGDQOSA-N
Molecular Weight 500.682 g/mol
SMILES C(\C(=C\(C(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1)c1ccccc1)(c1ccc(C(C)(C)C)cc1)=O
SPLASH splash10-08fr-0900010000-42312dd404193a092ca4
Source of Spectrum O1-33-1576-1
Wiley ID 819307