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3-bromo-5-methyl-hexa-3,4-dienoic acid ethyl ester
SpectraBase Compound ID 5DbyW7z9ba7
InChI InChI=1S/C9H13BrO2/c1-4-12-9(11)6-8(10)5-7(2)3/h4,6H2,1-3H3
InChIKey DATXUHJPVYJDEH-UHFFFAOYSA-N
Mol Weight 233.1 g/mol
Molecular Formula C9H13BrO2
Exact Mass 232.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7sDUpaxDsV
Name 3-bromo-5-methyl-hexa-3,4-dienoic acid ethyl ester
Alternate Name(s) ethyl 3-bromanyl-5-methyl-hexa-3,4-dienoate ethyl 3-bromo-5-methyl-hexa-3,4-dienoate 3-bromo-5-methylhexa-3,4-dienoic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C9H13BrO2
InChI InChI=1S/C9H13BrO2/c1-4-12-9(11)6-8(10)5-7(2)3/h4,6H2,1-3H3
InChIKey DATXUHJPVYJDEH-UHFFFAOYSA-N
Molecular Weight 233.105 g/mol
SMILES C(=C=C(C)C)(CC(=O)OCC)Br
SPLASH splash10-0f89-0490000000-5c2884f31a34def2ed5a
Source of Spectrum U-1996-178-19
Wiley ID 768076