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[3.alpha.(Z),6.alpha.(Z)]-1,1'-[1,2,4,5-tetroxane-3,6-diylbis[[1,2-bis(1,1-dimethylethyl)-2,1-ethenediyl]-2,1-phenylene]]bis[2,2-dimethyl-1-propanone]

View entire compound with spectra: 2 MS (GC)

[3.alpha.(Z),6.alpha.(Z)]-1,1'-[1,2,4,5-tetroxane-3,6-diylbis[[1,2-bis(1,1-dimethylethyl)-2,1-ethenediyl]-2,1-phenylene]]bis[2,2-dimethyl-1-propanone]
SpectraBase Compound ID 4Fftv0uPpxM
InChI InChI=1S/C44H64O6/c1-39(2,3)31(27-23-19-21-25-29(27)35(45)43(13,14)15)33(41(7,8)9)37-47-49-38(50-48-37)34(42(10,11)12)32(40(4,5)6)28-24-20-22-26-30(28)36(46)44(16,17)18/h19-26,37-38H,1-18H3/b33-31-,34-32-
InChIKey BFLIKOWWRPOIAO-WANSBIPISA-N
Mol Weight 689.0 g/mol
Molecular Formula C44H64O6
Exact Mass 688.47029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yWbqoIvX9t
Name [3.alpha.(Z),6.beta.(Z)]-1,1'-[1,2,4,5-tetroxane-3,6-diylbis[[1,2-bis(1,1-dimethylethyl)-2,1-ethenediyl]-2,1-phenylene]]bis[2,2-dimethyl-1-propanone]
CAS Registry Number 92077-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H64O6
InChI InChI=1S/C44H64O6/c1-39(2,3)31(27-23-19-21-25-29(27)35(45)43(13,14)15)33(41(7,8)9)37-47-49-38(50-48-37)34(42(10,11)12)32(40(4,5)6)28-24-20-22-26-30(28)36(46)44(16,17)18/h19-26,37-38H,1-18H3/b33-31-,34-32-
InChIKey BFLIKOWWRPOIAO-WANSBIPISA-N
Molecular Weight 688.990 g/mol
SMILES c1(\C(=C/(C2OOC(\C(=C/(c3c(C(C(C)(C)C)=O)cccc3)C(C)(C)C)C(C)(C)C)OO2)C(C)(C)C)C(C)(C)C)c(C(C(C)(C)C)=O)cccc1
SPLASH splash10-0a4r-3090000000-427a731eda04a0881c7d
Source of Spectrum J-49-4302-0
Wiley ID 1414625