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2,6-Di-t-butyl-4-t-butoxy-4-{2,6-dibromo-4-[2-(trifluoroacetamido)-2-(methoxycarbonyl)ethyl]phenyl}cyclohexa-2,5-dien-1-one

View entire compound with spectra: 1 MS (GC)

2,6-Di-t-butyl-4-t-butoxy-4-{2,6-dibromo-4-[2-(trifluoroacetamido)-2-(methoxycarbonyl)ethyl]phenyl}cyclohexa-2,5-dien-1-one
SpectraBase Compound ID FLvDMFMtaUG
InChI InChI=1S/C30H38Br2F3NO5/c1-26(2,3)17-14-29(41-28(7,8)9,15-18(23(17)37)27(4,5)6)22-19(31)11-16(12-20(22)32)13-21(24(38)40-10)36-25(39)30(33,34)35/h11-12,14-15,21H,13H2,1-10H3,(H,36,39)
InChIKey NIVOTCDBKQFYOO-UHFFFAOYSA-N
Mol Weight 709.4 g/mol
Molecular Formula C30H38Br2F3NO5
Exact Mass 707.106884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Du9Y8PpbCQ9
Name 2,6-Di-t-butyl-4-t-butoxy-4-{2,6-dibromo-4-[2-(trifluoroacetamido)-2-(methoxycarbonyl)ethyl]phenyl}cyclohexa-2,5-dien-1-one
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Formula C30H38Br2F3NO5
InChI InChI=1S/C30H38Br2F3NO5/c1-26(2,3)17-14-29(41-28(7,8)9,15-18(23(17)37)27(4,5)6)22-19(31)11-16(12-20(22)32)13-21(24(38)40-10)36-25(39)30(33,34)35/h11-12,14-15,21H,13H2,1-10H3,(H,36,39)
InChIKey NIVOTCDBKQFYOO-UHFFFAOYSA-N
Molecular Weight 709.439 g/mol
SMILES N(C(Cc1cc(c(C2(C=C(C(C(=C2)C(C)(C)C)=O)C(C)(C)C)OC(C)(C)C)c(c1)Br)Br)C(=O)OC)C(C(F)(F)F)=O
SPLASH splash10-0002-0090001000-c9bc8053cb100541a5a9
Source of Spectrum SO-0-1104-3
Synonyms Methyl 3-[3,5-dibromo-4-(1-tert-butoxy-3,5-ditert-butyl-4-oxo-2,5-cyclohexadien-1-yl)phenyl]-2-[(trifluoroacetyl)amino]propanoate
Wiley ID 1539659