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Methyl 2'-bromo-4-[2-(trifluoromethanesulfonyloxy)benzoyl]biphenyl-2-carboxylate
SpectraBase Compound ID A4gnYeepRuM
InChI InChI=1S/C22H14BrF3O6S/c1-31-21(28)17-12-13(10-11-14(17)15-6-2-4-8-18(15)23)20(27)16-7-3-5-9-19(16)32-33(29,30)22(24,25)26/h2-12H,1H3
InChIKey ZNYMYNXPGRFIOM-UHFFFAOYSA-N
Mol Weight 543.31 g/mol
Molecular Formula C22H14BrF3O6S
Exact Mass 541.964657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49z6DrDN6zW
Name Methyl 2'-bromo-4-[2-(trifluoromethanesulfonyloxy)benzoyl]biphenyl-2-carboxylate
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Formula C22H14BrF3O6S
InChI InChI=1S/C22H14BrF3O6S/c1-31-21(28)17-12-13(10-11-14(17)15-6-2-4-8-18(15)23)20(27)16-7-3-5-9-19(16)32-33(29,30)22(24,25)26/h2-12H,1H3
InChIKey ZNYMYNXPGRFIOM-UHFFFAOYSA-N
Molecular Weight 543.307 g/mol
SMILES C(S(Oc1c(C(c2cc(C(=O)OC)c(cc2)-c2c(Br)cccc2)=O)cccc1)(=O)=O)(F)(F)F
SPLASH splash10-0006-1179370000-582b0c393a3d17e28655
Source of Spectrum U1-2011-6678-6d
Wiley ID 1702853