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(Z)-1,3-Bis(4-t-butylphenyl)-2,4-bis(2,3,5,6-tetramethyl-4-nitrophenyl)-2-buten-1,4-dione
SpectraBase Compound ID 1ToufEYa9FL
InChI InChI=1S/C44H50N2O6/c1-23-27(5)39(45(49)50)28(6)24(2)35(23)38(41(47)32-17-21-34(22-18-32)44(12,13)14)37(31-15-19-33(20-16-31)43(9,10)11)42(48)36-25(3)29(7)40(46(51)52)30(8)26(36)4/h15-22H,1-14H3/b38-37-
InChIKey BAPNJYBHJZKVIU-DTTHWBISSA-N
Mol Weight 702.9 g/mol
Molecular Formula C44H50N2O6
Exact Mass 702.366887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r4543BsBXh
Name (Z)-1,3-Bis(4-t-butylphenyl)-2,4-bis(2,3,5,6-tetramethyl-4-nitrophenyl)-2-buten-1,4-dione
Alternate Name(s) (2Z)-1,3-bis(4-tert-butylphenyl)-2,4-bis(2,3,5,6-tetramethyl-4-nitrophenyl)-2-butene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H50N2O6
InChI InChI=1S/C44H50N2O6/c1-23-27(5)39(45(49)50)28(6)24(2)35(23)38(41(47)32-17-21-34(22-18-32)44(12,13)14)37(31-15-19-33(20-16-31)43(9,10)11)42(48)36-25(3)29(7)40(46(51)52)30(8)26(36)4/h15-22H,1-14H3/b38-37-
InChIKey BAPNJYBHJZKVIU-DTTHWBISSA-N
Molecular Weight 702.892 g/mol
SMILES C(\C(=C\(c1c(c(C)c(c(c1C)C)N(=O)=O)C)C(c1ccc(C(C)(C)C)cc1)=O)c1ccc(C(C)(C)C)cc1)(c1c(c(C)c(c(c1C)C)N(=O)=O)C)=O
SPLASH splash10-08fr-0941010200-ddd0250a1f6ce3ca2611
Source of Spectrum O1-33-1567-3
Wiley ID 819212