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2,6-Di-tert-butyl-4-[(E)-2-phenyl-1-(toluene-4-sulfonyl)vinyl]phenol
SpectraBase Compound ID GjQ254LNFgS
InChI InChI=1S/C29H34O3S/c1-20-13-15-23(16-14-20)33(31,32)26(17-21-11-9-8-10-12-21)22-18-24(28(2,3)4)27(30)25(19-22)29(5,6)7/h8-19,30H,1-7H3/b26-17+
InChIKey BBFMRUOWSFGYRZ-YZSQISJMSA-N
Mol Weight 462.6 g/mol
Molecular Formula C29H34O3S
Exact Mass 462.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kyn4ELkNeW
Name 2,6-Di-tert-butyl-4-[(E)-2-phenyl-1-(toluene-4-sulfonyl)vinyl]phenol
Alternate Name(s) 2,6-Ditert-butyl-4-{(E)-1-[(4-methylphenyl)sulfonyl]-2-phenylethenyl}phenol 2,6-Ditert-butyl-4-[(E)-1-(4-methylphenyl)sulfonyl-2-phenylethenyl]phenol 2,6-Ditert-butyl-4-[(E)-2-phenyl-1-(p-tolylsulfonyl)vinyl]phenol 2,6-Ditert-butyl-4-[(E)-1-(4-methylphenyl)sulfonyl-2-phenyl-ethenyl]phenol
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Formula C29H34O3S
InChI InChI=1S/C29H34O3S/c1-20-13-15-23(16-14-20)33(31,32)26(17-21-11-9-8-10-12-21)22-18-24(28(2,3)4)27(30)25(19-22)29(5,6)7/h8-19,30H,1-7H3/b26-17+
InChIKey BBFMRUOWSFGYRZ-YZSQISJMSA-N
Molecular Weight 462.648 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)\C(=C/c1ccccc1)S(=O)(=O)c1ccc(cc1)C)C(C)(C)C
SPLASH splash10-0a4i-0029000000-a91ad4c87688085eb940
Source of Spectrum F-62-2629-4
Wiley ID 1632611