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Methyl (E)-7-bromo-6-oxohept-2-enoate
SpectraBase Compound ID 5Rncl2SlqrO
InChI InChI=1S/C8H11BrO3/c1-12-8(11)5-3-2-4-7(10)6-9/h3,5H,2,4,6H2,1H3/b5-3+
InChIKey LYGPZUPMHKBWHZ-HWKANZROSA-N
Mol Weight 235.08 g/mol
Molecular Formula C8H11BrO3
Exact Mass 233.989157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uujWkbSFWR
Name Methyl (E)-7-bromo-6-oxohept-2-enoate
Alternate Name(s) Methyl (E)-8-bromo-7-oxohept-2-enoate (E)-methyl 7-bromo-6-oxohept-2-enoate (E)-7-bromo-6-oxo-2-heptenoic acid methyl ester Methyl (E)-7-bromo-6-oxo-hept-2-enoate Methyl (E)-7-bromanyl-6-oxidanylidene-hept-2-enoate
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Formula C8H11BrO3
InChI InChI=1S/C8H11BrO3/c1-12-8(11)5-3-2-4-7(10)6-9/h3,5H,2,4,6H2,1H3/b5-3+
InChIKey LYGPZUPMHKBWHZ-HWKANZROSA-N
Molecular Weight 235.077 g/mol
SMILES C(\C=C\CCC(=O)CBr)(=O)OC
SPLASH splash10-052f-4900000000-af489b11a2dec6022530
Source of Spectrum F5-4-3162-8g
Wiley ID 1732932