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(E)-3-Bromo-4-chlorohex-3-en-2-one isomer
SpectraBase Compound ID JoSd4S2Qw9L
InChI InChI=1S/C6H8BrClO/c1-3-5(8)6(7)4(2)9/h3H2,1-2H3/b6-5+
InChIKey WTHQDGBRMBGISZ-AATRIKPKSA-N
Mol Weight 211.49 g/mol
Molecular Formula C6H8BrClO
Exact Mass 209.944706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIXKoptslSz
Name (E)-3-Bromo-4-chlorohex-3-en-2-one isomer
Alternate Name(s) (E)-3-Bromo-4-chlorohex-3-en-2-one (3E)-3-bromo-4-chloro-3-hexen-2-one
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Formula C6H8BrClO
InChI InChI=1S/C6H8BrClO/c1-3-5(8)6(7)4(2)9/h3H2,1-2H3/b6-5+
InChIKey WTHQDGBRMBGISZ-AATRIKPKSA-N
Molecular Weight 211.486 g/mol
SMILES C(\C(=C\(C(=O)C)Br)Cl)C
SPLASH splash10-014i-0900000000-30c0e126def7f5c75379
Source of Spectrum J-67-2186-8
Wiley ID 1569414