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3-[4-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]phenoxy]-4-phenylmethoxybenzoic acid methyl ester
SpectraBase Compound ID 4qfBcIoLuE0
InChI InChI=1S/C30H25BrO5/c1-33-26-15-16-27(31)23(18-26)11-8-21-9-13-25(14-10-21)36-29-19-24(30(32)34-2)12-17-28(29)35-20-22-6-4-3-5-7-22/h3-19H,20H2,1-2H3/b11-8+
InChIKey ZKVLPRKXCZAUDJ-DHZHZOJOSA-N
Mol Weight 545.43 g/mol
Molecular Formula C30H25BrO5
Exact Mass 544.088537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9teRjzUtVXt
Name 3-[4-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]phenoxy]-4-phenylmethoxybenzoic acid methyl ester
Alternate Name(s) 4-Benzoxy-3-[4-[(E)-2-(2-bromo-5-methoxy-phenyl)vinyl]phenoxy]benzoic acid methyl ester Methyl 3-[4-[(E)-2-(2-bromanyl-5-methoxy-phenyl)ethenyl]phenoxy]-4-phenylmethoxy-benzoate Methyl 3-[4-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]phenoxy]-4-phenylmethoxybenzoate Methyl 4-benzyloxy-3-[4-[(E)-2-(2-bromo-5-methoxy-phenyl)vinyl]phenoxy]benzoate
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Formula C30H25BrO5
InChI InChI=1S/C30H25BrO5/c1-33-26-15-16-27(31)23(18-26)11-8-21-9-13-25(14-10-21)36-29-19-24(30(32)34-2)12-17-28(29)35-20-22-6-4-3-5-7-22/h3-19H,20H2,1-2H3/b11-8+
InChIKey ZKVLPRKXCZAUDJ-DHZHZOJOSA-N
Molecular Weight 545.429 g/mol
SMILES c1(cc(C(=O)OC)ccc1OCc1ccccc1)Oc1ccc(\C=C\c2c(ccc(c2)OC)Br)cc1
SPLASH splash10-0005-0011090000-547165d264b6901c5ab8
Source of Spectrum H1-54-267-11
Wiley ID 1564229