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methyl 2-(4-bromophenyl)-3-methyl-4-oxo-4-phenyl-but-2-enoate
SpectraBase Compound ID 74i6ZZVFRdQ
InChI InChI=1S/C18H15BrO3/c1-12(17(20)14-6-4-3-5-7-14)16(18(21)22-2)13-8-10-15(19)11-9-13/h3-11H,1-2H3
InChIKey OCNVEQWKSNZANW-UHFFFAOYSA-N
Mol Weight 359.22 g/mol
Molecular Formula C18H15BrO3
Exact Mass 358.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rhU0pgBRA8
Name methyl 2-(4-bromophenyl)-3-methyl-4-oxo-4-phenyl-but-2-enoate
Appearance White solid
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Formula C18H15BrO3
InChI InChI=1S/C18H15BrO3/c1-12(17(20)14-6-4-3-5-7-14)16(18(21)22-2)13-8-10-15(19)11-9-13/h3-11H,1-2H3
InChIKey OCNVEQWKSNZANW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611625
Molecular Weight 359.219 g/mol
Quality 196
Reported Formula C18H15O3(79)Br
SMILES C1=CC(=CC=C1Br)C(=C(C)C(C1=CC=CC=C1)=O)C(OC)=O
SPLASH splash10-056r-3917000000-524118aea8f2cbfcd7cf
Source of Spectrum ACI-56-SM16-5f (DOI: 10.1002/anie.201611625)
Wiley ID 1892916