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(E)-4-Bromo-2-(4-methoxyphenyl)hex-4-enoic acid
SpectraBase Compound ID J8fj1yqQja1
InChI InChI=1S/C13H15BrO3/c1-3-10(14)8-12(13(15)16)9-4-6-11(17-2)7-5-9/h3-7,12H,8H2,1-2H3,(H,15,16)/b10-3+
InChIKey XQLSDQUQHUFAGW-XCVCLJGOSA-N
Mol Weight 299.16 g/mol
Molecular Formula C13H15BrO3
Exact Mass 298.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LeSYeQCKY3
Name (E)-4-Bromo-2-(4-methoxyphenyl)hex-4-enoic acid
Alternate Name(s) (E)-4-bromo-2-(4-methoxyphenyl)-4-hexenoic acid (E)-4-bromanyl-2-(4-methoxyphenyl)hex-4-enoic acid
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Formula C13H15BrO3
InChI InChI=1S/C13H15BrO3/c1-3-10(14)8-12(13(15)16)9-4-6-11(17-2)7-5-9/h3-7,12H,8H2,1-2H3,(H,15,16)/b10-3+
InChIKey XQLSDQUQHUFAGW-XCVCLJGOSA-N
Literature Reference DOI 10.1021/ol9015578
Molecular Weight 299.164 g/mol
SMILES OC(C(C\C(=C/C)Br)c1ccc(cc1)OC)=O
SPLASH splash10-014i-1900000000-ebb7be50a88abf67fb56
Source of Spectrum A1-11-4084/SMS4-1g
Wiley ID 1757294